1,3-dicarbonyl compounds

Acétoacétate d’éthyle, 99 %, pur, Acros Organics

N° CAS: 141-97-9 Formule moléculaire: C6H10O3 Molecular Weight (g/mol): 130.14 Numéro MDL: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonyme: ethyl acetoacetate, ethyl acetylacetate, ethyl 3-oxobutyrate, diacetic ether, butanoic acid, 3-oxo-, ethyl ester, ethyl acetylacetonate, acetoacetic acid, ethyl ester, 3-oxobutanoic acid ethyl ester, 3-oxo-butyric acid ethyl ester, active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: éthyl3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Malonate de mono-tert-butyle, 95 %, ACROS Organics™

N° CAS: 40052-13-9 Formule moléculaire: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonyme: 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono-tert-butyl ester, mono-tert-butyl malonate, 2-tert-butoxycarbonyl acetic acid, tert-butyl hydrogen malonate, mono-t-butyl malonate, pubchem13754, malonicacidmono-tert-butylester, malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: Acide 3-[(2-méthylpropan-2-yl)oxy]-3-oxopropanoïque SMILES: CC(C)(C)OC(=O)CC(=O)O

Acétoacétate d’éthyle, 99+ %, extra pur, ACROS Organics™

N° CAS: 141-97-9 Formule moléculaire: C6H10O3 Molecular Weight (g/mol): 130.14 Numéro MDL: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonyme: ethyl acetoacetate, ethyl acetylacetate, ethyl 3-oxobutyrate, diacetic ether, butanoic acid, 3-oxo-, ethyl ester, ethyl acetylacetonate, acetoacetic acid, ethyl ester, 3-oxobutanoic acid ethyl ester, 3-oxo-butyric acid ethyl ester, active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: éthyl3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Alfa Aesar™ Acide malonique, 99 %

N° CAS: 141-82-2 Formule moléculaire: C3H4O4 Molecular Weight (g/mol): 104.061 Numéro MDL: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonyme: malonic acid, dicarboxymethane, carboxyacetic acid, methanedicarboxylic acid, kyselina malonova, usaf ek-695, dicarboxylate, dicarboxylic acid, kyselina malonova czech, propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: Acide propanedioïque SMILES: C(C(=O)O)C(=O)O

Malonate de diéthyle, 99 %, Alfa Aesar™

N° CAS: 105-53-3 Formule moléculaire: C7H12O4 Molecular Weight (g/mol): 160.169 Numéro MDL: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonyme: diethyl malonate, malonic ester, propanedioic acid, diethyl ester, dicarbethoxymethane, malonic acid, diethyl ester, carbethoxyacetic ester, malonic acid diethyl ester, 1,3-diethyl propanedioate, ethyl propanedioate, ethyl malonate van PubChem CID: 7761 IUPAC Name: propanedioate de diéthyle SMILES: CCOC(=O)CC(=O)OCC

Malonate de diméthyle, + de 99 %, Acros Organics

N° CAS: 108-59-8 Formule moléculaire: C5H8O4 Molecular Weight (g/mol): 132.12 Numéro MDL: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonyme: dimethyl malonate, methyl malonate, propanedioic acid, dimethyl ester, malonic acid dimethyl ester, 1,3-dimethyl propanedioate, dimethyl 1,3-propanedioate, malonic acid, dimethyl ester, unii-em8y79998c, ccris 8981, propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: propanedioate de diméthyle SMILES: COC(=O)CC(=O)OC

1,4-cyclohexanedione-2,5-dicarboxylate de diméthyle, 99+ %, Acros Organics™

N° CAS: 6289-46-9 Formule moléculaire: C10H12O6 Molecular Weight (g/mol): 228.2 Numéro MDL: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYSA-N Synonyme: dimethyl succinylsuccinate, dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, succinosuccinic acid, dimethyl ester, dmss, dimethyl succinylosuccinate, dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate, dimethyl succinylo succinate, 1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester, 2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester, 1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 IUPAC Name: diméthyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

Alfa Aesar™ Chlorure de malonyle éthylique, 95 %

N° CAS: 36239-09-5 Formule moléculaire: C5H7ClO3 Molecular Weight (g/mol): 150.558 Numéro MDL: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonyme: ethyl 3-chloro-3-oxopropionate, ethyl chloroformylacetate, ethyl chloroformyl acetate, propanoic acid, 3-chloro-3-oxo-, ethyl ester, ethyl3-chloro-3-oxopropanoate, ethyl malonylchloride, carbethoxyacetyl chloride, 2-ethoxycarbonylacetyl chloride, ethyl 2-chlorocarbonyl acetate, chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: éthyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(=O)Cl

Dichlorure de malonyle, 97 %, ACROS Organics™

N° CAS: 1663-67-8 Formule moléculaire: C3H2Cl2O2 Molecular Weight (g/mol): 140.95 Numéro MDL: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonyme: malonyl chloride, malonyl dichloride, malonoyl chloride, malonic acid dichloride, malonoyl dichloride, malonic acid chloride, malonylchloride, methane-1,1-dicarbonyl chloride, malonylchlorid, malonyldichloride PubChem CID: 74269 IUPAC Name: Dichlorure de propanedioyl SMILES: C(C(=O)Cl)C(=O)Cl

1,3-acétonédicarboxylate de diéthyle, 95 %, ACROS Organics™

N° CAS: 105-50-0 Formule moléculaire: C9H14O5 Molecular Weight (g/mol): 202.21 Numéro MDL: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonyme: diethyl 1,3-acetonedicarboxylate, diethyl 3-oxoglutarate, 1,5-diethyl 3-oxopentanedioate, pentanedioic acid, 3-oxo-, diethyl ester, ethyl acetonedicarboxylate, ethyl 3-oxoglutarate, diethyl acetone-1,3-dicarboxylate, diethyl acetone dicarboxylate, 3-oxopentanedioic acid diethyl ester, acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diéthyl3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

Méthylmalonate de diéthyle, 99 %, Acros Organics

N° CAS: 609-08-5 Formule moléculaire: C8H14O4 Molecular Weight (g/mol): 174.2 Numéro MDL: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonyme: diethyl methylmalonate, methylmalonic acid diethyl ester, diethyl 2-methylmalonate, propanedioic acid, methyl-, diethyl ester, 1,3-diethyl 2-methylpropanedioate, diethylmethylmalonate, ethyl methylmalonate, diethyl methylpropanedioate, malonic acid, methyl-, diethyl ester, 2-methylmalonic acid diethyl PubChem CID: 11857 IUPAC Name: diéthyl2 -méthylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC

Alfa Aesar™ Chlorure de méthyle malonyle, 97 %

N° CAS: 37517-81-0 Formule moléculaire: C4H5ClO3 Molecular Weight (g/mol): 136.531 Numéro MDL: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N Synonyme: methyl malonyl chloride, methyl 3-chloro-3-oxopropionate, methyl chloroformylacetate, propanoic acid, 3-chloro-3-oxo-, methyl ester, methyl-3-chloro-3-oxopropionate, methyl-3-chlor-3-oxopropanoat, methyl chlorocarbonylacetate, carbomethoxy acetyl chloride, methyl chloroformyl acetate, methyl3-chloro-3-oxopropionate PubChem CID: 123460 IUPAC Name: méthyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

Malonate de diéthyle, 99+ %, ACROS Organics™

N° CAS: 105-53-3 Formule moléculaire: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonyme: diethyl malonate, malonic ester, propanedioic acid, diethyl ester, dicarbethoxymethane, malonic acid, diethyl ester, carbethoxyacetic ester, malonic acid diethyl ester, 1,3-diethyl propanedioate, ethyl propanedioate, ethyl malonate van PubChem CID: 7761 IUPAC Name: propanedioate de diéthyle SMILES: CCOC(=O)CC(=O)OCC

Éthylmalonate de diéthyle, 99 %, Acros Organics

N° CAS: 133-13-1 Formule moléculaire: C9H16O4 Molecular Weight (g/mol): 188.22 Numéro MDL: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonyme: diethyl ethylmalonate, diethyl 2-ethylmalonate, propanedioic acid, ethyl-, diethyl ester, ethylmalonic acid diethyl ester, 1,3-diethyl 2-ethylpropanedioate, unii-69g92oyr3m, propanedioic acid, 2-ethyl-, 1,3-diethyl ester, malonic acid, ethyl-, diethyl ester, diethyl ethylpropanedioate, diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: 2-éthylpropanedioate de diéthyle SMILES: CCC(C(=O)OCC)C(=O)OCC

Acétoacétate d‘éthyle, extra pur, SLR, Fisher Chemical

N° CAS: 141-97-9 Formule moléculaire: C6H10O3 Molecular Weight (g/mol): 130.143 Numéro MDL: 9199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonyme: ethyl acetoacetate, ethyl acetylacetate, ethyl 3-oxobutyrate, diacetic ether, butanoic acid, 3-oxo-, ethyl ester, ethyl acetylacetonate, acetoacetic acid, ethyl ester, 3-oxobutanoic acid ethyl ester, 3-oxo-butyric acid ethyl ester, active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: éthyl3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

Alfa Aesar™ (2-pentyl)malonate de diéthyle, 94 %

N° CAS: 117-47-5 Formule moléculaire: C12H22O4 Molecular Weight (g/mol): 230.304 Numéro MDL: MFCD00051558 InChI Key: RQFSNEWORATSCC-UHFFFAOYSA-N Synonyme: diethyl 1-methylbutyl malonate, diethyl 2-pentyl malonate, diethyl 1-methylbutylmalonate, diethyl 1-methylbutal malonate, 1-methylbutyl malonic ester, 1-methylbutyl malonic acid diethyl ester, diethyl pentan-2-ylmalonate, acmc-1brsl, diethyl sec-amyl malonate PubChem CID: 95449 IUPAC Name: 2-pentan-2-ylpropanedioate de diéthyle SMILES: CCCC(C)C(C(=O)OCC)C(=O)OCC

Phénylmalonate de diéthyle, 98 %, Acros Organics™

N° CAS: 83-13-6 Formule moléculaire: C13H16O4 Molecular Weight (g/mol): 236.27 Numéro MDL: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonyme: diethyl phenylmalonate, diethyl 2-phenylmalonate, phenylmalonic acid diethyl ester, propanedioic acid, phenyl-, diethyl ester, diethylphenylmalonate, 1,3-diethyl 2-phenylpropanedioate, malonic acid, phenyl-, diethyl ester, propanedioic acid, 2-phenyl-, 1,3-diethyl ester, diethyl 2-phenylpropane-1,3-dioate, diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: Diéthyl 2-phénylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

Malonate d’éthyle de tert-butyle, 97 %, ACROS Organics™

N° CAS: 32864-38-3 Formule moléculaire: C9H16O4 Molecular Weight (g/mol): 188.22 Numéro MDL: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonyme: tert-butyl ethyl malonate, t-butyl ethyl malonate, propanedioic acid, 1,1-dimethylethyl ethyl ester, 1-tert-butyl 3-ethyl propanedioate, tert-butyl ethyl propanedioate, malonic acid tert-butyl ethyl ester, tert-butyl ethyl propane-1,3-dioate, zlchem 692, acmc-1cjju, 1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: Propanedioate 1-O-éthyle de 3-O-tert-butyl SMILES: CCOC(=O)CC(=O)OC(C)(C)C

Alfa Aesar™ Butyrylacétate d’éthyle, 98 %

N° CAS: 3249-68-1 Formule moléculaire: C8H14O3 Molecular Weight (g/mol): 158.197 Numéro MDL: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonyme: ethyl butyrylacetate, ethyl butyroacetate, hexanoic acid, 3-oxo-, ethyl ester, ethyl beta-ketohexanoate, ethyl alpha-butyrylacetate, 3-ketohexanoic acid ethyl ester, ethyl-3-oxohexanoate, unii-8q1ahg710e, ethyl .alpha.-butyrylacetate, fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: éthyl3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

Propionylacétate d’éthyle, 98+ %, ACROS Organics™

N° CAS: 4949-44-4 Formule moléculaire: C7H12O3 Molecular Weight (g/mol): 144.17 Numéro MDL: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonyme: ethyl propionylacetate, ethyl 3-oxovalerate, ethyl 3-oxo-n-valerate, pentanoic acid, 3-oxo-, ethyl ester, 3-oxopentanoic acid ethyl ester, 3-oxo-pentanoic acid ethyl ester, ethyl 3-ketopentanoate, 3-oxovaleric acid ethyl ester, propionylacetic acid ethyl ester, ethylpropanylacetate PubChem CID: 78656 IUPAC Name: éthyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

Alfa Aesar™ Allylmalonate de diéthyle, 97 %

N° CAS: 2049-80-1 Formule moléculaire: C10H16O4 Molecular Weight (g/mol): 200.234 Numéro MDL: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonyme: diethyl allylmalonate, ethyl allylmalonate, diethyl 2-allylmalonate, allylmalonic acid diethyl ester, diethyl prop-2-enylpropanedioate, diethyl 2-prop-2-enyl malonate, malonic acid, allyl-, diethyl ester, propanedioic acid, 2-propenyl-, diethyl ester, diethyl 2-2-propenyl-1,3-propanedioate, allyl malonic acid PubChem CID: 74900 IUPAC Name: diéthyl2-prop-2-énylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC

Alfa Aesar™ Malonate de di-tert-butyle, 98+ %, stab. avec carbonate de potassium

N° CAS: 541-16-2 Formule moléculaire: C11H20O4 Molecular Weight (g/mol): 216.277 Numéro MDL: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonyme: di-tert-butyl malonate, malonic acid di-tert-butyl ester, propanedioic acid, bis 1,1-dimethylethyl ester, di-t-butylmalonate, di-t-butyl malonate, unii-7e9xwt9380, 1,3-di-tert-butyl propanedioate, di tert-butyl malonate, tert-butyl 2-tert-butoxycarbonyl acetate, di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: Propionate de ditert butyle SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C

Alfa Aesar™ Sel disodique d’acide malonique, 99 %

N° CAS: 141-95-7 Formule moléculaire: C3H2Na2O4 Molecular Weight (g/mol): 148.025 Numéro MDL: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonyme: sodium malonate, disodium malonate, propanedioic acid, disodium salt, malonic acid disodium salt, disodium propanedioate, malonic acid, sodium salt, unii-9qwe64m39h, propanedioic acid, sodium salt 1:2, malonic acid, disodium salt, dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: Disodium ; Propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Alfa Aesar™ Dichlorure de malonyle, 97 %

N° CAS: 1663-67-8 Formule moléculaire: C3H2Cl2O2 Molecular Weight (g/mol): 140.947 Numéro MDL: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonyme: malonyl chloride, malonyl dichloride, malonoyl chloride, malonic acid dichloride, malonoyl dichloride, malonic acid chloride, malonylchloride, methane-1,1-dicarbonyl chloride, malonylchlorid, malonyldichloride PubChem CID: 74269 IUPAC Name: Dichlorure de propanedioyl SMILES: C(C(=O)Cl)C(=O)Cl

Alfa Aesar™ 2-éthylacétoacétate d’éthyle, 95 %

N° CAS: 607-97-6 Formule moléculaire: C8H14O3 Molecular Weight (g/mol): 158.197 Numéro MDL: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonyme: ethyl 2-ethylacetoacetate, ethyl 2-acetylbutyrate, butanoic acid, 2-ethyl-3-oxo-, ethyl ester, 2-ethylacetoacetic acid ethyl ester, ethyl 2-ethyl-3-ketobutyrate, ethyl alpha-ethylacetoacetate, ethyl-2-ethylacetoacetate, 2-ethyl-3-oxo-butyric acid ethyl ester, ethyl .alpha.-acetylbutyrate, ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: éthyl2-éthyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC

Malonate de potassium de méthyle, 98 %, Alfa Aesar™

N° CAS: 38330-80-2 Formule moléculaire: C4H5KO4 Molecular Weight (g/mol): 156.178 Numéro MDL: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonyme: potassium 3-methoxy-3-oxopropanoate, methyl potassium malonate, potassium methyl malonate, propanedioic acid, monomethyl ester, potassium salt, potassium monomethyl malonate, monomethyl malonate potassium salt, hydrogen methyl malonate potassium salt, monomethylpotassiummalonate, acmc-209vp4, ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium ; 3-méthoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]

Alfa Aesar™ (1-éthylpropyl)malonate de diméthyle, 97 %

N° CAS: 39520-19-9 Formule moléculaire: C10H18O4 Molecular Weight (g/mol): 202.25 Numéro MDL: MFCD08436116 InChI Key: LHJTVXUTWGDTQT-UHFFFAOYSA-N Synonyme: dimethyl 1-ethylpropyl malonate, dimethyl 2-1-ethylpropyl malonate, acmc-20al7d, dimethyl diethylmethyl malonate, dimethyl pentan-3-yl propanedioate, 1-ethylpropyl malonic acid dimethyl ester, dimethyl 2-ethylpropyl propane-1,3-dioate, 1,3-dimethyl 2-pentan-3-yl propanedioate PubChem CID: 42552954 IUPAC Name: 2-pentan-3-ylpropanedioate de diméthyle SMILES: CCC(CC)C(C(=O)OC)C(=O)OC

Butyrylacétate d’éthyle, 98 %, Acros Organics

N° CAS: 3249-68-1 Formule moléculaire: C8H14O3 Molecular Weight (g/mol): 158.2 Numéro MDL: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonyme: ethyl butyrylacetate, ethyl butyroacetate, hexanoic acid, 3-oxo-, ethyl ester, ethyl beta-ketohexanoate, ethyl alpha-butyrylacetate, 3-ketohexanoic acid ethyl ester, ethyl-3-oxohexanoate, unii-8q1ahg710e, ethyl .alpha.-butyrylacetate, fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: éthyl3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

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