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

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Names

[ CAS No. ]:
60442-41-3

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

[Synonym ]:
MFCD00030282
2-chloroacetylamino-3-carbethoxy-4,5,6,7-tetrahydrobenzo<b>thiophene
ethylbromoacetylbenzenecarboxylate
ethyl 2-bromoacetylbenzoate

Chemical & Physical Properties

[ Melting Point ]:
113-115ºC

[ Molecular Formula ]:
C13H16ClNO3S

[ Molecular Weight ]:
301.78900

[ Exact Mass ]:
301.05400

[ PSA ]:
83.64000

[ LogP ]:
3.05390

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL9603900
CHEMICAL NAME :
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((chloroacetyl)amino)-, ethyl ester
CAS REGISTRY NUMBER :
60442-41-3
BEILSTEIN REFERENCE NO. :
1433548
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-Cl-N-O3-S
MOLECULAR WEIGHT :
301.81

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

[ Hazard Codes ]:
Xi

[ HS Code ]:
2934999090

Precursor & DownStream

Precursor

  • ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
  • Chloroacetyl chloride
  • Acetic acid,2-cyano-2-cyclohexylidene-, ethyl ester
  • Cyclohexanone
  • Ethyl cyanoacetate

DownStream

  • ETHYL 2-AMINO-7-OXO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
  • 7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid(SALTDATA: FREE)
  • ethyl 2-[[1-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxyethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  • ethyl 2-(2-morpholinoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

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%

Related Compounds

  • (5-{[(Difluoromethyl)sulfanyl]methyl}furan-2-yl)methanesulfonyl chloride
  • Tert-butyl 1-fluoro-5,5-dimethyl-2-oxocyclohexane-1-carboxylate
  • 3-[3-(1-Amino-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propanoic acid
  • 6-(2-Aminopropan-2-yl)-4-hydroxy-1,2-dihydro-1,3,5-triazin-2-one
  • (1R)-1-[3-(morpholin-4-yl)-1,2,4-oxadiazol-5-yl]pentane-1,5-diamine
  • 1-[(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoyl]-4,4-difluoropyrrolidine-2-carboxylic acid
  • 4-(difluoromethyl)-1,3-dimethyl-1H-pyrazole-5-sulfonamide
  • 1-[1-(2,2-dimethylpropyl)-3-ethyl-1H-pyrazol-5-yl]ethan-1-amine
  • 1-(3-cyclobutyl-1-propyl-1H-pyrazol-5-yl)ethan-1-amine
  • (2S)-4-(ethylsulfanyl)butan-2-ol
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