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

Click to get detail synthetic route

Precursor & DownStream

Precursor

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

DownStream

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

Related Compounds

  • 6-Ethyl-5-fluoro-N-methyl-N-(1-pyrazin-2-ylazetidin-3-yl)pyrimidin-4-amine
  • N-methyl-N-{[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl}-4-(trifluoromethyl)pyridin-2-amine
  • 2-Methyl-4-(pyrrolidin-1-yl)-6-{4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyrimidine
  • 4-[(3,4-Difluorophenyl)methyl]-2-(piperidine-1-carbonyl)morpholine
  • N-{[1-(thiophen-3-yl)cyclopropyl]methyl}furan-3-carboxamide
  • 2-{[1-(4-Methylthiophene-2-carbonyl)pyrrolidin-3-yl]methoxy}pyridine
  • 4-{6-[4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyridazin-3-yl}morpholine
  • 1-(3-Methylphenyl)-3-[1-(oxan-4-yl)pyrrolidin-3-yl]urea
  • 5-Prop-2-ynylpyrazolo[1,5-d][1,2,4]triazin-4-one
  • (2S,4S)-4-Fluoro-1-(2-hydroxy-2-methoxyacetyl)pyrrolidine-2-carbonitrile
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