| Identification | Back Directory | [Name]
4-BROMO-BENZO[B]THIOPHENE | [CAS]
5118-13-8 | [Synonyms]
4-bromo-thiophene
4-Bromothianaphthene
5-cyanobenzothiophene
4-Bromobenzothiophene
4-BROMO-1-BENZOTHIOPHENE
4-BROMO-BENZO[B]THIOPHENE
Brexpiprazole intermdiate
Benzo[b]thiophene,4-broMo-
4-BROMO-BENZO[B]THIOPHENE ISO 9001：2015 REACH
4-Bromo-1-benzothiophene, 4-Bromothianaphthene | [EINECS(EC#)]
814-115-6 | [Molecular Formula]
C8H5BrS | [MDL Number]
MFCD08669544 | [MOL File]
5118-13-8.mol | [Molecular Weight]
213.094 |
| Chemical Properties | Back Directory | [Boiling point ]
144 °C(Press: 20 Torr) | [density ]
1.649±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
solid | [color ]
White to off-white | [InChI]
InChI=1S/C8H5BrS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H | [InChIKey]
QPBSEYFVZDMBFW-UHFFFAOYSA-N | [SMILES]
C12=CC=CC(Br)=C1C=CS2 |
| Questions And Answer | Back Directory | [Synthesis]
The traditional synthesis method is to take 2-bromo-6-fluorobenzaldehyde as a raw material, cyclize the raw material with mercaptoacetic acid in a DMF solvent to obtain 4-chlorobenzo [b] thiophene-2-carboxylic acid, and then decarboxylate the product at a high temperature in a quinoline/copper powder system to obtain the 4-chlorobenzo [b] thiophene. |
| Hazard Information | Back Directory | [Uses]
4-bromobenzo [b] thiophene is an important intermediate in the drug ipiprazole for the treatment of schizophrenia. | [References]
[1] Patent: US2017/158680, 2017, A1. Location in patent: Paragraph 0361; 0368; 0369
[2] Tetrahedron Letters, 2004, vol. 45, # 52, p. 9645 - 9647
[3] Organic Process Research and Development, 2012, vol. 16, # 8, p. 1449 - 1454
[4] Patent: WO2007/92751, 2007, A2. Location in patent: Page/Page column 20-21
[5] Patent: EP1724277, 2006, A1. Location in patent: Page/Page column 28-29 |
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