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Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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1 – 15 of 46 results
1

L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™

CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 6904
CAS 87-79-6
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:13172
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-OTWZMJIISA-N
Molecular Formula C6H12O6
3

D-Psicose, 98%

CAS: 551-68-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00083478 InChI Key: BJHIKXHVCXFQLS-PUFIMZNGSA-N Synonym: erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose PubChem CID: 90008 ChEBI: CHEBI:27605 IUPAC Name: (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
PubChem CID 90008
CAS 551-68-8
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:27605
MDL Number MFCD00083478
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose
IUPAC Name (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-PUFIMZNGSA-N
Molecular Formula C6H12O6
4

Ethyl 2-nitrobenzoylacetate, 97%

CAS: 52119-39-8 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.21 MDL Number: MFCD03424821 InChI Key: OWZNCVIBJQPNEF-UHFFFAOYSA-N Synonym: ethyl 3-2-nitrophenyl-3-oxopropanoate,ethyl 2-nitrobenzoylacetate,acmc-1awhb,ethyl 3-2-nitrophenyl-3-oxo-propanoate,ethyl o-nitrobenzoylacetate,ethyl 2-o-nitrobenzoyl acetate,ethyl 2-2-nitrobenzoyl acetate,ethyl 2-o-nitrobenzoyl-acetate,ethyl 2-nitrobenzoyl acetate PubChem CID: 10561837 IUPAC Name: ethyl 3-(2-nitrophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-]

PubChem CID 10561837
CAS 52119-39-8
Molecular Weight (g/mol) 237.21
MDL Number MFCD03424821
SMILES CCOC(=O)CC(=O)C1=CC=CC=C1[N+](=O)[O-]
Synonym ethyl 3-2-nitrophenyl-3-oxopropanoate,ethyl 2-nitrobenzoylacetate,acmc-1awhb,ethyl 3-2-nitrophenyl-3-oxo-propanoate,ethyl o-nitrobenzoylacetate,ethyl 2-o-nitrobenzoyl acetate,ethyl 2-2-nitrobenzoyl acetate,ethyl 2-o-nitrobenzoyl-acetate,ethyl 2-nitrobenzoyl acetate
IUPAC Name ethyl 3-(2-nitrophenyl)-3-oxopropanoate
InChI Key OWZNCVIBJQPNEF-UHFFFAOYSA-N
Molecular Formula C11H11NO5
6

2',4',6'-Trihydroxyacetophenone, 98%

CAS: 480-66-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002287 InChI Key: XLEYFDVVXLMULC-UHFFFAOYSA-N Synonym: 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone PubChem CID: 68073 ChEBI: CHEBI:64344 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(O)C=C1O

PubChem CID 68073
CAS 480-66-0
Molecular Weight (g/mol) 168.15
ChEBI CHEBI:64344
MDL Number MFCD00002287
SMILES CC(=O)C1=C(O)C=C(O)C=C1O
Synonym 1-2,4,6-trihydroxyphenyl ethanone,2',4',6'-trihydroxyacetophenone,phloroacetophenone,phloracetophenone,acetophloroglucine,2,4,6-trihydroxyacetophenone,acetylphloroglucinol,ethanone, 1-2,4,6-trihydroxyphenyl,2-acetylphloroglucinol,1-2,4,6-trihydroxyphenyl-ethanone
IUPAC Name 1-(2,4,6-trihydroxyphenyl)ethanone
InChI Key XLEYFDVVXLMULC-UHFFFAOYSA-N
Molecular Formula C8H8O4
8

Ethyl isonicotinoylacetate, 95%

CAS: 26377-17-3 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00094021 InChI Key: PCJNYGPKMQQCPX-UHFFFAOYSA-N Synonym: ethyl isonicotinoylacetate,ethyl 3-oxo-3-pyridin-4-yl propanoate,ethyl 3-oxo-3-4-pyridyl propionate,ethyl 3-4-pyridyl-3-oxopropionate,3-oxo-3-pyridin-4-yl-propionic acid ethyl ester,ethyl 3-oxo-3-4-pyridinyl propanoate,ethylisonicotinoylacetate,ethyl-4-pyridoyl acetate,ethyl 3-oxo-3-4-pyridyl propanoate,4-pyridinepropanoic acid, b-oxo-, ethyl ester PubChem CID: 2735202 IUPAC Name: ethyl 3-oxo-3-pyridin-4-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=NC=C1

PubChem CID 2735202
CAS 26377-17-3
Molecular Weight (g/mol) 193.20
MDL Number MFCD00094021
SMILES CCOC(=O)CC(=O)C1=CC=NC=C1
Synonym ethyl isonicotinoylacetate,ethyl 3-oxo-3-pyridin-4-yl propanoate,ethyl 3-oxo-3-4-pyridyl propionate,ethyl 3-4-pyridyl-3-oxopropionate,3-oxo-3-pyridin-4-yl-propionic acid ethyl ester,ethyl 3-oxo-3-4-pyridinyl propanoate,ethylisonicotinoylacetate,ethyl-4-pyridoyl acetate,ethyl 3-oxo-3-4-pyridyl propanoate,4-pyridinepropanoic acid, b-oxo-, ethyl ester
IUPAC Name ethyl 3-oxo-3-pyridin-4-ylpropanoate
InChI Key PCJNYGPKMQQCPX-UHFFFAOYSA-N
Molecular Formula C10H11NO3
9

Ethyl picolinoylacetate, 95%

CAS: 26510-52-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00094022 InChI Key: FQHXWZMJALFSJJ-UHFFFAOYSA-N Synonym: ethyl 3-oxo-3-pyridin-2-yl propanoate,ethyl picolinoylacetate,ethyl 3-oxo-3-2-pyridyl propionate,ethyl 3-oxo-3-2-pyridinyl propanoate,ethyl 3-oxo-3-2-pyridyl propanoate,pubchem11088,ethyl-2-pyridoyl acetate,d05hbz,ethyl 3-pyridinyl-3-oxopropionate,2-3-ethoxy-3-oxopropanoyl pyridine PubChem CID: 2736461 IUPAC Name: ethyl 3-oxo-3-pyridin-2-ylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=N1

PubChem CID 2736461
CAS 26510-52-1
Molecular Weight (g/mol) 193.20
MDL Number MFCD00094022
SMILES CCOC(=O)CC(=O)C1=CC=CC=N1
Synonym ethyl 3-oxo-3-pyridin-2-yl propanoate,ethyl picolinoylacetate,ethyl 3-oxo-3-2-pyridyl propionate,ethyl 3-oxo-3-2-pyridinyl propanoate,ethyl 3-oxo-3-2-pyridyl propanoate,pubchem11088,ethyl-2-pyridoyl acetate,d05hbz,ethyl 3-pyridinyl-3-oxopropionate,2-3-ethoxy-3-oxopropanoyl pyridine
IUPAC Name ethyl 3-oxo-3-pyridin-2-ylpropanoate
InChI Key FQHXWZMJALFSJJ-UHFFFAOYSA-N
Molecular Formula C10H11NO3
10

4,4'-Bis(dimethylamino)benzil, 98%

CAS: 17078-27-2 Molecular Formula: C18H20N2O2 Molecular Weight (g/mol): 296.36 InChI Key: AVFUVYIDYFXFSX-UHFFFAOYSA-N Synonym: 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone PubChem CID: 222570 IUPAC Name: 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione SMILES: CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C

PubChem CID 222570
CAS 17078-27-2
Molecular Weight (g/mol) 296.36
SMILES CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C
Synonym 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone
IUPAC Name 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione
InChI Key AVFUVYIDYFXFSX-UHFFFAOYSA-N
Molecular Formula C18H20N2O2
11

2-(Bromoacetyl)-6-methoxynaphthalene, 96%, Thermo Scientific Chemicals

CAS: 10262-65-4 Molecular Formula: C13H11BrO2 Molecular Weight (g/mol): 279.13 InChI Key: HHHKEQGAGUAOQI-UHFFFAOYSA-N Synonym: 2-bromoacetyl-6-methoxynaphthalene,2-bromo-1-6-methoxy-2-naphthyl ethanone,2-bromo-6'-methoxy-2'-acetonaphthone,2-bromo-1-6-methoxynaphthalen-2-yl ethan-1-one,2-bromo-1-6-methoxynaphthalen-2-yl ethanone,ethanone, 2-bromo-1-6-methoxy-2-naphthalenyl,enamine_005243,2-bromo-1-6-methoxy-naphthalen-2-yl-ethanone PubChem CID: 193452 IUPAC Name: 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanone SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CBr

PubChem CID 193452
CAS 10262-65-4
Molecular Weight (g/mol) 279.13
SMILES COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CBr
Synonym 2-bromoacetyl-6-methoxynaphthalene,2-bromo-1-6-methoxy-2-naphthyl ethanone,2-bromo-6'-methoxy-2'-acetonaphthone,2-bromo-1-6-methoxynaphthalen-2-yl ethan-1-one,2-bromo-1-6-methoxynaphthalen-2-yl ethanone,ethanone, 2-bromo-1-6-methoxy-2-naphthalenyl,enamine_005243,2-bromo-1-6-methoxy-naphthalen-2-yl-ethanone
IUPAC Name 2-bromo-1-(6-methoxynaphthalen-2-yl)ethanone
InChI Key HHHKEQGAGUAOQI-UHFFFAOYSA-N
Molecular Formula C13H11BrO2
12
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3-Benzoylpropionic acid, 98%

CAS: 2051-95-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00002792 InChI Key: KMQLIDDEQAJAGJ-UHFFFAOYSA-N Synonym: 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid PubChem CID: 72871 ChEBI: CHEBI:64437 IUPAC Name: 4-oxo-4-phenylbutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=CC=C1

PubChem CID 72871
CAS 2051-95-8
Molecular Weight (g/mol) 178.19
ChEBI CHEBI:64437
MDL Number MFCD00002792
SMILES OC(=O)CCC(=O)C1=CC=CC=C1
Synonym 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid
IUPAC Name 4-oxo-4-phenylbutanoic acid
InChI Key KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Molecular Formula C10H10O3
13

Methyl 3-trifluoromethylbenzoylacetate, 95%, Thermo Scientific™

CAS: 93618-66-7 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.19 MDL Number: MFCD00216522 InChI Key: RPRMYRPHNDGZOY-UHFFFAOYSA-N Synonym: methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester PubChem CID: 735880 IUPAC Name: methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate SMILES: COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 735880
CAS 93618-66-7
Molecular Weight (g/mol) 246.19
MDL Number MFCD00216522
SMILES COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F
Synonym methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester
IUPAC Name methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
InChI Key RPRMYRPHNDGZOY-UHFFFAOYSA-N
Molecular Formula C11H9F3O3
14

Ethyl benzoylacetate, 90%

CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1

PubChem CID 7170
CAS 94-02-0
Molecular Weight (g/mol) 192.21
MDL Number MFCD00009196
SMILES CCOC(=O)CC(=O)C1=CC=CC=C1
Synonym ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate
IUPAC Name ethyl 3-oxo-3-phenylpropanoate
InChI Key GKKZMYDNDDMXSE-UHFFFAOYSA-N
Molecular Formula C11H12O3
15
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L(-)-Sorbose, 98%

CAS: 87-79-6 MDL Number: MFCD00151097 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 6904
CAS 87-79-6
ChEBI CHEBI:13172
MDL Number MFCD00151097
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-OTWZMJIISA-N