Identification | More | [Name]
METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE | [CAS]
22913-24-2 | [Synonyms]
AKOS 91623 BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER BUTTPARK 86\18-02 METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE METHYL THIANAPHTHENE-2-CARBOXYLATE RARECHEM AL BF 0483 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 MethylbenzoÄ bÜ thiophene-2-carboxylate,97% Methyl benzobüthiophene-2-carboxylate, 97% Benzo[b]thiophene-2-carboxylic acid methyl ester, Methyl thianaphthene-2-carboxylate | [EINECS(EC#)]
625-266-0 | [Molecular Formula]
C10H8O2S | [MDL Number]
MFCD00067791 | [Molecular Weight]
192.23 | [MOL File]
22913-24-2.mol |
Chemical Properties | Back Directory | [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) |
Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3 | [HS Code ]
2934999090 |
Hazard Information | Back Directory | [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 |
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