2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1 ,4-dihydropyridine

Modify Date: 2025-09-25 20:23:09

2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1 ,4-dihydropyridine structure	Common Name	2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1 ,4-dihydropyridine
	CAS Number	84761-75-1	Molecular Weight	443.46200
	Density	1.279g/cm3	Boiling Point	554.5ºC at 760 mmHg
	Molecular Formula	C₂₀H₂₃F₂NO₆S	Melting Point	N/A
	MSDS	N/A	Flash Point	289.1ºC

Name	diethyl 4-[2-(difluoromethylsulfonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Synonym	More Synonyms

Density	1.279g/cm3
Boiling Point	554.5ºC at 760 mmHg
Molecular Formula	C₂₀H₂₃F₂NO₆S
Molecular Weight	443.46200
Flash Point	289.1ºC
Exact Mass	443.12100
PSA	107.15000
LogP	4.45350
Index of Refraction	1.516
InChIKey	VPODHCPLXLSTOD-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1S(=O)(=O)C(F)F

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US7969700

CHEMICAL NAME :: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-((difluoromethyl)sulfonyl)phenyl)- 2,6-dimethyl-, diethyl ester

CAS REGISTRY NUMBER :: 84761-75-1

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H23-F2-N-O6-S

MOLECULAR WEIGHT :: 443.50

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 355 mg/kg

TOXIC EFFECTS :: Vascular - BP lowering not characterized in autonomic section Vascular - regional or general arteriolar or venous dilation

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 16,817,1982

2-((difluoromethyl)sulfonyl)benzaldehyde structure

2-((difluoromet...

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Ethyl acetoacetate structure

Ethyl acetoacetate

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~49%

2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1 ,4-dihydropyridine Structure

2,6-Dimethyl-3,...

CAS#:84761-75-1

Literature: Kastron, V. V.; Dubur, G. Ya.; Vitolin', R. O.; Kimenis, A. A.; Selga, M. Ya.; et al. Pharmaceutical Chemistry Journal, 1982 , vol. 16, # 11 p. 817 - 824 Khimiko-Farmatsevticheskii Zhurnal, 1982 , vol. 16, # 11 p. 1322 - 1329

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