1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Modify Date: 2025-08-26 12:18:43

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure
1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid structure
Common Name 1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CAS Number 4332-79-0 Molecular Weight 229.23100
Density 1.355g/cm3 Boiling Point 443.3ºC at 760 mmHg
Molecular Formula C13H11NO3 Melting Point 205-207ºC
MSDS USA Flash Point 221.9ºC

 Names

Name 1-benzyl-6-oxopyridine-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.355g/cm3
Boiling Point 443.3ºC at 760 mmHg
Melting Point 205-207ºC
Molecular Formula C13H11NO3
Molecular Weight 229.23100
Flash Point 221.9ºC
Exact Mass 229.07400
PSA 59.30000
LogP 1.59480
Index of Refraction 1.643
InChIKey LDTBMEOGSQFGDK-UHFFFAOYSA-N
SMILES O=C(O)c1ccc(=O)n(Cc2ccccc2)c1

 Safety Information

HS Code 2933399090

 Synthetic Route

~61%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

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Literature: ENCYSIVE PHARMACEUTICALS, INC. Patent: WO2008/79371 A1, 2008 ; Location in patent: Page/Page column 110 ; WO 2008/079371 A1

~%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

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Literature: Anderson; Berkelhammer Journal of the American Chemical Society, 1958 , vol. 80, p. 992,997

~75%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

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Literature: Buurman; Van der Plas Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 4 p. 1015 - 1018

~%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

Learn More
Literature: Anderson; Berkelhammer Journal of the American Chemical Society, 1958 , vol. 80, p. 992,997

~%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

Learn More
Literature: Anderson; Berkelhammer Journal of the American Chemical Society, 1958 , vol. 80, p. 992,997

~%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

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Literature: Wiley et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 625

~%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

Learn More
Literature: Buurman; Van der Plas Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 4 p. 1015 - 1018

~%

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Structure

1-Benzyl-6-oxo-...

CAS#:4332-79-0

Learn More
Literature: Sugasawa et al. Yakugaku Zasshi, 1952 , vol. 72, p. 192 Chem.Abstr., 1953 , p. 6418

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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 Synonyms

F2143-0001
1-Benzyl-6-oxo-1,6-dihydro-pyridin-3-carbonsaeure
1-benzyl-6-keto-1,6-dihydronicotinic acid
1-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
1-Benzyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylic Acid
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