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| | METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE Basic information | | Application |
| Product Name: | METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE | | Synonyms: | RARECHEM AL BF 0483;BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;BUTTPARK 86\18-02;AKOS 91623;Benzo[b]thiophene-2-carboxylic acid methyl ester~Methyl thianaphthene-2-carboxylate~Thianaphthene-2-carboxylic acid methyl ester;Benzothiophene-2-Carboxylic Acid Methyl Ester;Benzo(b)thiophene-2-cyrboxylic acid methylester;Benzo[b]thiophene-2-carboxylicacidmethylester~Methylthianaphthene-2-carboxylate~Thianaphthene-2-carboxylicacidmeth | | CAS: | 22913-24-2 | | MF: | C10H8O2S | | MW: | 192.23 | | EINECS: | 625-266-0 | | Product Categories: | | | Mol File: | 22913-24-2.mol | ![METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE Structure](CAS/GIF/22913-24-2.gif) |
| | METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE Chemical Properties |
| Melting point | 70-74 °C | | Boiling point | 304.6±15.0 °C(Predicted) | | density | 1.273±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | form | solid | | Appearance | Light yellow to yellow Solid | | BRN | 142166 | | InChI | InChI=1S/C10H8O2S/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3 | | InChIKey | KRRAZMUPVIGDCU-UHFFFAOYSA-N | | SMILES | C12=CC=CC=C1C=C(C(OC)=O)S2 | | CAS DataBase Reference | 22913-24-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | HS Code | 2934999090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE Usage And Synthesis |
| Application | Methylbenzothiophene-2-carboxaldehyde is an organic synthesis intermediate used in laboratory research and development processes and in chemical and pharmaceutical synthesis. It is obtained by esterification of benzothiophene-2-carboxylate. It can be used to synthesize 2-substituted-1,3,4-oxadiazine ones – compound 4. | | Synthesis | General procedure for the synthesis of methylbenzothiophene-2-carbaldehyde from methanol and benzothiophene-2-carboxylic acid: 2-benzothiophenecarboxylic acid (1.0 g, 5.61 mmol, 1.0 eq.) was dissolved in 20 mL of methanol, followed by the addition of concentrated sulfuric acid (0.1 g) as catalyst. The reaction mixture was stirred at 60 °C for 16 hours. Upon completion of the reaction, 50 mL of saturated aqueous sodium bicarbonate was added to the reaction mixture to neutralize the acidic conditions. Subsequently, the organic phase was separated by extraction with ethyl acetate. The organic phase was sequentially washed with saturated brine and dried over anhydrous sodium sulfate. Finally, the organic phase was concentrated under reduced pressure to afford the target product methyl 2-benzothiophenecarboxylate (1.05 g, 97.4% yield) as a white solid. | | References | [1] Synlett, 2004, # 6, p. 1113 - 1116
[2] Patent: CN107383024, 2017, A. Location in patent: Paragraph 0407 |
| | METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE Preparation Products And Raw materials |
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