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

Modify Date: 2024-07-18 17:52:08

diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate Structure
diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate structure
 Common Name diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number 23118-58-3 Molecular Weight 335.41800
Density 1.185g/cm3 Boiling Point 454.8ºC at 760mmHg
Molecular Formula C17H21NO4S Melting Point N/A
MSDS N/A Flash Point 228.9ºC

 Names

Name diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
Synonym More Synonyms

 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

2-Thiophenecarboxaldehyde structure

2-Thiophenecarb...

CAS#:98-03-3

Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

~10%

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

diethyl 2,6-dim...

CAS#:23118-58-3

Literature: Bridgwood, Katy L.; Veitch, Gemma E.; Ley, Steven V. Organic Letters, 2008 , vol. 10, # 16 p. 3627 - 3629
2-Thiophenecarboxaldehyde structure

2-Thiophenecarb...

CAS#:98-03-3

Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

ethyl 3-aminocrotonate structure

ethyl 3-aminocr...

CAS#:41867-20-3

~47%

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

diethyl 2,6-dim...

CAS#:23118-58-3

Literature: Jiang, Ji-Long; Van Rhee, A. Michiel; Chang, Louis; Patchornik, Abraham; Ji, Xiao-Duo; Evans, Patricia; Melman, Neli; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 1997 , vol. 40, # 16 p. 2596 - 2608
2-Thiophenecarboxaldehyde structure

2-Thiophenecarb...

CAS#:98-03-3

Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

Urea structure

Urea

CAS#:57-13-6

~90%

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

diethyl 2,6-dim...

CAS#:23118-58-3

Literature: Yadav; Subba Reddy; Reddy Synthetic Communications, 2001 , vol. 31, # 3 p. 425 - 430
Pyridine structure

Pyridine

CAS#:110-86-1

~%

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

diethyl 2,6-dim...

CAS#:23118-58-3

Literature: Vanden Eynde; D'Orazio; Mayence; Maquestiau; Anders Tetrahedron, 1992 , vol. 48, # 7 p. 1263 - 1268
Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

~%

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

diethyl 2,6-dim...

CAS#:23118-58-3

Literature: Grischkewitsch-Trochimowski; Mazurewitsch Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1912 , vol. 44, p. 575 Chem. Zentralbl., 1912 , vol. 83, # II p. 1561

 Synonyms

2,6-dimethyl-4-thiophen-2-yl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
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Chemsrc provides CAS#:23118-58-3 MSDS, density, melting point, boiling point, structure, etc. Its name is diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate>> amp version: diethyl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

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