Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester

Modify Date: 2024-01-15 10:00:05

Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester Structure
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester structure
Common Name Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester
CAS Number 5919-29-9 Molecular Weight 267.34400
Density 1.253g/cm3 Boiling Point 492.9ºC at 760 mmHg
Molecular Formula C13H17NO3S Melting Point N/A
MSDS N/A Flash Point 251.9ºC

 Names

Name ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.253g/cm3
Boiling Point 492.9ºC at 760 mmHg
Molecular Formula C13H17NO3S
Molecular Weight 267.34400
Flash Point 251.9ºC
Exact Mass 267.09300
PSA 83.64000
LogP 2.83500
Index of Refraction 1.591

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9603600
CHEMICAL NAME :
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester
CAS REGISTRY NUMBER :
5919-29-9
BEILSTEIN REFERENCE NO. :
1318072
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H17-N-O3-S
MOLECULAR WEIGHT :
267.37

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

 Safety Information

HS Code 2934999090

 Synthetic Route

~97%

Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester Structure

Benzo(b)thiophe...

CAS#:5919-29-9

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2003/104219 A1, 2003 ; Location in patent: Page 10; 12 ; WO 03/104219 A1

~97%

Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester Structure

Benzo(b)thiophe...

CAS#:5919-29-9

Literature: Aurelio, Luigi; Flynn, Bernard L.; Scammells, Peter J. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 13 p. 4886 - 4902

~%

Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester Structure

Benzo(b)thiophe...

CAS#:5919-29-9

Literature: US2005/176742 A1, ;

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
2-acetamido-3-carboethoxy-4,5-tetramethylenethiophene
ethyl 2-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Ethyl 4,5,6,7-tetrahydro-2-(acetylamino)benzo(b)thiophene-3-carboxylate
2-Acetylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
ethyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Benzo(b)thiophene-3-carboxylic acid,4,5,6,7-tetrahydro-2-(acetylamino)-,ethyl ester
ethyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate