diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Modify Date: 2024-01-12 16:33:16

diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Structure
diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate structure
Common Name diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number 23191-75-5 Molecular Weight 397.38800
Density 1.215g/cm3 Boiling Point 455.5ºC at 760 mmHg
Molecular Formula C20H22F3NO4 Melting Point N/A
MSDS N/A Flash Point 229.3ºC

 Names

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

 Chemical & Physical Properties

Density 1.215g/cm3
Boiling Point 455.5ºC at 760 mmHg
Molecular Formula C20H22F3NO4
Molecular Weight 397.38800
Flash Point 229.3ºC
Exact Mass 397.15000
PSA 64.63000
LogP 4.39520
Vapour Pressure 1.75E-08mmHg at 25°C
Index of Refraction 1.496

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US7977800
CHEMICAL NAME :
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(alpha,alpha,alpha-trifluo ro-o- tolyl)-, diethyl ester
CAS REGISTRY NUMBER :
23191-75-5
BEILSTEIN REFERENCE NO. :
0500244
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H22-F3-N-O4
MOLECULAR WEIGHT :
397.43
WISWESSER LINE NOTATION :
T6M DHJ B1 CVO2 DR BXFFF& EVO2 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1225 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,956,1974
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,956,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1480 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,956,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38 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
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
700 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Cardiac - change in rate Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,956,1974

 Safety Information

Risk Phrases 37
RTECS ZH5200000

 Synonyms

SK&diethyl 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]3,5-pyridinedicarboxylate
Ftorin
4-(2-Trifluoromethylphenyl)-3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridine
3,5-dicarbethoxy-1,4-dihydro-2,6-dimethyl-4-(2-trifluoromethylphenyl)pyridine
2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-trifluoromethylphenyl)-1,4-dihydropyridine [French]
4-<2-(trifluoromethyl)phenyl>-3,5-dicarboethoxy-1,4-dihydrolutidine
diethyl 1,4-dihydro-2,6-dimethyl-4-(2-trifluoromethylphenyl)-pyridine-3,5-dicarboxylate
1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylic acid,diethyl ester
Ftorin (pharmaceutical)