diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

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Names

[ CAS No. ]:
23118-58-3

[ Name ]:
diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

[Synonym ]:
2,6-dimethyl-4-thiophen-2-yl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

Chemical & Physical Properties

[ Density]:
1.185g/cm3

[ Boiling Point ]:
454.8ºC at 760mmHg

[ Molecular Formula ]:
C17H21NO4S

[ Molecular Weight ]:
335.41800

[ Flash Point ]:
228.9ºC

[ Exact Mass ]:
335.11900

[ PSA ]:
92.87000

[ LogP ]:
3.43790

[ Vapour Pressure ]:
1.85E-08mmHg at 25°C

[ Index of Refraction ]:
1.541

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US7977000
CHEMICAL NAME :
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-thienyl)-, diethyl ester
CAS REGISTRY NUMBER :
23118-58-3
BEILSTEIN REFERENCE NO. :
0288949
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H21-N-O4-S
MOLECULAR WEIGHT :
335.45
WISWESSER LINE NOTATION :
T6M DHJ B1 CVO2 EVO2 F1 D- BT5SJ

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 :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01321

Synthetic Route

Precursor & DownStream

Precursor

  • 2-Thiophenecarboxaldehyde
  • Ethyl acetoacetate
  • ethyl 3-aminocrotonate
  • Urea
  • Pyridine

DownStream

  • 3,5-Diethoxycarbonyl-2,6-dimethylpyridine