3-O-methyl 5-O-[(Z)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Modify Date: 2024-01-14 19:26:42

3-O-methyl 5-O-[(Z)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Structure
3-O-methyl 5-O-[(Z)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate structure
Common Name 3-O-methyl 5-O-[(Z)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number 102106-20-7 Molecular Weight 512.55300
Density 1.255g/cm3 Boiling Point 695.9ºC at 760mmHg
Molecular Formula C30H28N2O6 Melting Point N/A
MSDS N/A Flash Point 374.7ºC

 Names

Name 3-O-methyl 5-O-[(Z)-4-naphthalen-2-ylbut-3-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.255g/cm3
Boiling Point 695.9ºC at 760mmHg
Molecular Formula C30H28N2O6
Molecular Weight 512.55300
Flash Point 374.7ºC
Exact Mass 512.19500
PSA 110.45000
LogP 6.65450
Vapour Pressure 3.25E-19mmHg at 25°C
Index of Refraction 1.633
InChIKey FTVJQPPBOIJVEH-TWGQIWQCSA-N
SMILES COC(=O)C1=C(C)NC(C)=C(C(=O)OCCC=Cc2ccc3ccccc3c2)C1c1cccc([N+](=O)[O-])c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US7975615
CHEMICAL NAME :
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 4-(2- naphthalenyl)-3-butenyl ester, (Z)-
CAS REGISTRY NUMBER :
102106-20-7
LAST UPDATED :
199806
DATA ITEMS CITED :
1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4672068

 Synonyms

3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,methyl 4-(2-naphthalenyl)-3-butenyl ester,(Z)
Methyl (Z)-4-(2-naphthyl)-3-butenyl 4-(3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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