| 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 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Questions And Answer | Back Directory | [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. |
| 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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