| Identification | Back Directory | [Name]
4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID | [CAS]
19156-54-8 | [Synonyms]
4,5,6,7-Tetrahy
4,5,6,7-Tetrahydrobenzothiophene-3-carboxylic acid
4,5,6,7-Tetrahydro-ben[B]thiophene-3-carboxylic acid
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-
4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic acid 97%
2-broMo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid(SALTDATA: FREE)
4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ISO 9001：2015 REACH | [EINECS(EC#)]
624-553-8 | [Molecular Formula]
C9H10O2S | [MDL Number]
MFCD00652575 | [MOL File]
19156-54-8.mol | [Molecular Weight]
182.24 |
| Chemical Properties | Back Directory | [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 | [form ]
solid | [pka]
4.35±0.20(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11) | [InChIKey]
TUZZQEHPGHKGRJ-UHFFFAOYSA-N | [SMILES]
C12CCCCC=1C(C(O)=O)=CS2 |
| Hazard Information | Back Directory | [Synthesis]
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 |
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