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

Modify Date: 2024-09-19 13:38:41

ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Structure
ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure
Common Name ethyl 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number 76981-84-5 Molecular Weight 377.88500
Density 1.298g/cm3 Boiling Point 477.9ºC at 760 mmHg
Molecular Formula C19H20ClNO3S Melting Point N/A
MSDS N/A Flash Point 242.8ºC

 Names

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

 Chemical & Physical Properties

Density 1.298g/cm3
Boiling Point 477.9ºC at 760 mmHg
Molecular Formula C19H20ClNO3S
Molecular Weight 377.88500
Flash Point 242.8ºC
Exact Mass 377.08500
PSA 83.64000
LogP 5.02830
Index of Refraction 1.618

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9603945
CHEMICAL NAME :
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((4-chlorobenzoyl)amino)-6-methy l-, ethyl ester
CAS REGISTRY NUMBER :
76981-84-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H20-Cl-N-O3-S
MOLECULAR WEIGHT :
377.91

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 :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
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 2-[(4-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Structure

ethyl 2-[(4-chl...

CAS#:76981-84-5

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

~%

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

ethyl 2-[(4-chl...

CAS#:76981-84-5

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

~89%

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

ethyl 2-[(4-chl...

CAS#:76981-84-5

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