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4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid

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4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid manufacturers

4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid Basic information
Product Name:4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid
Synonyms:4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid(SALTDATA: FREE);4,5,6,7-Tetrahydro-ben[B]thiophene-3-carboxylic acid;2-broMo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid;4,5,6,7-Tetrahydrobenzothiophene-3-carboxylic acid;4,5,6,7-Tetrahy;Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-;4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid 97%;4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ISO 9001:2015 REACH
CAS:19156-54-8
MF:C9H10O2S
MW:182.24
EINECS:624-553-8
Product Categories:
Mol File:19156-54-8.mol
4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid Structure
4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid Chemical Properties
Melting point 179-184°C
Boiling point 350.5±42.0 °C(Predicted)
density 1.317±0.06 g/cm3(Predicted)
storage temp. Keep in dark place,Inert atmosphere,Room temperature
pka4.35±0.20(Predicted)
form solid
AppearanceWhite to off-white Solid
InChIInChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
InChIKeyTUZZQEHPGHKGRJ-UHFFFAOYSA-N
SMILESC12CCCCC=1C(C(O)=O)=CS2
Safety Information
WGK Germany 3
HazardClass IRRITANT
HS Code 2934999090
Storage Class11 - Combustible Solids
MSDS Information
4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid Usage And Synthesis
Synthesis
Ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

14559-12-7

4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID

19156-54-8

The general procedure for the synthesis of 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid from ethyl 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate was as follows: general method: potassium hydroxide (KOH, 1.7 g, 30 mmol) was added to ethyl 4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylate (30 mmol) in aqueous (H2O. 20 mL) emulsion. The mixture was heated under vigorous stirring until a clarified solution was obtained (about 1 h), then stirring was continued for 30 min. The reaction solution was cooled to room temperature and washed with toluene (PhMe); the aqueous layer was separated and acidified with hydrochloric acid (HCl) to pH 4. The precipitate was collected by filtration and recrystallized with a solvent mixture of ethanol (EtOH)-N,N-dimethylformamide (DMF).

References[1] Journal of Medicinal Chemistry, 2003, vol. 46, # 12, p. 2446 - 2455
[2] Chemistry of Heterocyclic Compounds, 2015, vol. 50, # 12, p. 1748 - 1755
[3] Khim. Geterotsikl. Soedin., 2014, vol. 50, # 12, p. 1900 - 1907,8
4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid Preparation Products And Raw materials
Raw materialsEthyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Tag:4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid(19156-54-8) Related Product Information
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester Ethyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate AURORA 3766 AKOS 93369 BUTTPARK 128\48-16 AKOS AUF1322 AKOS 92930 AKOS 89941 BUTTPARK 123\48-20 Ethyl 2-(((4-chlorophenyl)amino)carbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-((thioxo((4-(trifluoromethoxy)phenyl)amino)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-((2,2-dicyanovinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-((3-(2-chlorophenyl)-5-methylisoxazol-4-yl)carbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-(((1,3-dioxoindan-2-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-(((4-(trifluoromethoxy)phenyl)amino)carbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-[2-(2,4-dichlorophenoxy)acetamido]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate