ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Modify Date: 2024-09-18 14:55:12

ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Structure
ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure
 Common Name ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number 76981-78-7 Molecular Weight 369.47700
Density 1.223g/cm3 Boiling Point 595.7ºC at 760 mmHg
Molecular Formula C21H23NO3S Melting Point N/A
MSDS N/A Flash Point 314.1ºC

 Names

Name ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

 Chemical & Physical Properties

Density 1.223g/cm3
Boiling Point 595.7ºC at 760 mmHg
Molecular Formula C21H23NO3S
Molecular Weight 369.47700
Flash Point 314.1ºC
Exact Mass 369.14000
PSA 87.13000
LogP 5.35100
Index of Refraction 1.631

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9608700
CHEMICAL NAME :
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-2-((1-oxo-3-phenyl-2- propenyl)amino)-, ethyl ester
CAS REGISTRY NUMBER :
76981-78-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H23-N-O3-S
MOLECULAR WEIGHT :
369.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,413,1980

 Synthetic Route

Ethyl cyanoacetate structure

Ethyl cyanoacetate

CAS#:105-56-6

~%

ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Structure

ethyl 5-methyl-...

CAS#:76981-78-7

Literature: Perrissin; Duc; Narcisse; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 5 p. 413 - 418
UNII:255L4HTY2B structure

UNII:255L4HTY2B

CAS#:591-24-2

~%

ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Structure

ethyl 5-methyl-...

CAS#:76981-78-7

Literature: Perrissin; Duc; Narcisse; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 5 p. 413 - 418

 Precursor & DownStream

Precursor  2

DownStream  0

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Chemsrc provides CAS#:76981-78-7 MSDS, density, melting point, boiling point, structure, etc. Its name is ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate>> amp version: ethyl 5-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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