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| | 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID Basic information |
| Product Name: | 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID | | Synonyms: | 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid(SALTDATA: FREE);4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid, 2-Carboxy-4,5,6,7-tetrahydrobenzo[b]thiophene, 2-Carboxy-4,5,6,7-tetrahydro-1-benzothiophene;Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-;4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate | | CAS: | 40133-07-1 | | MF: | C9H10O2S | | MW: | 182.24 | | EINECS: | | | Product Categories: | | | Mol File: | 40133-07-1.mol | ![4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID Structure](CAS/GIF/40133-07-1.gif) |
| | 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID Chemical Properties |
| Melting point | 196℃ | | Boiling point | 368.1±42.0 °C(Predicted) | | density | 1.317±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C(protect from light) | | pka | 3.91±0.20(Predicted) | | form | Crystalline Powder | | color | White | | Water Solubility | Sparingly soluble in water.(0.26 g/L) (25°C), | | InChI | InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11) | | InChIKey | ROLXOQXKNDKXTA-UHFFFAOYSA-N | | SMILES | C12CCCCC=1C=C(C(O)=O)S2 |
| HazardClass | IRRITANT | | HS Code | 2934999090 |
| | 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID Usage And Synthesis |
| Uses | It is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor. |
| | 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID Preparation Products And Raw materials |
| Raw materials | 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethan-1-one-->4,5,6,7-Tetrahydro-1-benzothiophene-2-carbaldehyde-->2-BroMo-4,5,6,7-tetrahydro-1-benzothiophene-->4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-->Carbon dioxide |
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