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

Names

[ CAS No. ]:
76981-78-7

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl cyanoacetate
  • UNII:255L4HTY2B

DownStream

Related Compounds

  • 3-(2-Hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-(3-propoxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 3-(2-Hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-(4-methylsulfanylphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 3-(Benzyloxy)bicyclo[3.1.0]hexan-6-amine
  • 4-(3,4-Dimethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 3-(2-Hydroxyphenyl)-4-(3-propoxyphenyl)-5-(pyridin-4-ylmethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(4-Ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-4-ylmethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 5-(2-Hydroxyethyl)-3-(2-hydroxyphenyl)-4-(3-propoxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 3-(2-Hydroxyphenyl)-5-(3-hydroxypropyl)-4-(3-propoxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 5-(2-Hydroxyethyl)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-pentoxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(4-Ethoxyphenyl)-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
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