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	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

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

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

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

2-Thiophenecarb...

CAS#:98-03-3

Ethyl acetoacetate

CAS#:141-97-9

~10%

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-Thiophenecarb...

CAS#:98-03-3

Ethyl acetoacetate

CAS#:141-97-9

ethyl 3-aminocr...

CAS#:41867-20-3

~47%

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-Thiophenecarb...

CAS#:98-03-3

Ethyl acetoacetate

CAS#:141-97-9

Urea

CAS#:57-13-6

~90%

diethyl 2,6-dim...

CAS#:23118-58-3

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

Pyridine

CAS#:110-86-1

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

CAS#:141-97-9

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

Precursor 5
CAS#:98-03-3 2-Thiophenecarb... CAS#:141-97-9 Ethyl acetoacetate CAS#:41867-20-3 ethyl 3-aminocr... CAS#:57-13-6 Urea
CAS#:110-86-1 Pyridine
DownStream 1
CAS#:1149-24-2 3,5-Diethoxycar...

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

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.