ChemicalBook--->CAS DataBase List--->1034305-17-3

1034305-17-3

1034305-17-3 Structure

1034305-17-3 Structure
IdentificationBack Directory
[Name]

Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]-
[CAS]

1034305-17-3
[Synonyms]

Ipragliflozin-004
Azilsartan Impurity 64
Ipragliflozin Impurity 9
Ipragliflozin Impurity B
Ipragliflozin intermediate 1
Ipragliflozin impurity B (B4)
2-[(5-broMo-2-fluorophenyl)Methyl]-
2-(5-BroMo-2-fluorobenzyl)benzothiophene
2-(5-BroMo-2-fluorobenzyl)benzo[b]thiophene
2-(5-bromo-2-fluorobenzyl)-1-benzothiophene
2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
2-[(5-bromo-2-fluorophenyl)Methyl]-Benzo[b]thiophene
Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]-
Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]- ISO 9001:2015 REACH
[Molecular Formula]

C15H10BrFS
[MDL Number]

MFCD28144826
[MOL File]

1034305-17-3.mol
[Molecular Weight]

321.21
Chemical PropertiesBack Directory
[Boiling point ]

408.9±35.0 °C(Predicted)
[density ]

1.509±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C15H10BrFS/c16-12-5-6-14(17)11(7-12)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
[InChIKey]

IKGTVOQAJKYBGO-UHFFFAOYSA-N
[SMILES]

C12=CC=CC=C1C=C(CC1=CC(Br)=CC=C1F)S2
Hazard InformationBack Directory
[Uses]

Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]- is mainly used in medicine and organic synthesis.
[Synthesis]

Benzo[b]thiophene-2-Methanol, α-(5-broMo-2-fluorophenyl)-

1034305-11-7

Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]-

1034305-17-3

General procedure for the synthesis of 2-(5-bromo-2-fluorobenzyl)benzo[b]thiophene from benzo[b]thiophen-2-yl(5-bromo-2-fluorophenyl)methanol: 35.4 g (105 mmol) of benzo[b]thiophene-2-yl(5-bromo-2-fluorophenyl)methanol, a compound of Formula 3, was dissolved in 800 mL of dichloromethane, and the solution was cooled to -20 °C. To this solution, 36.5 mL (230 mmol) of triethylsilane and 15.2 mL (120 mmol) of boron trifluoride ethyl ether compound were slowly added under stirring. The reaction mixture was kept stirred at -20°C for 30 minutes. Upon completion of the reaction, saturated aqueous sodium bicarbonate solution was added to the mixture to neutralize the reaction. The organic phase was separated, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to remove the solvent. The resulting crude product was purified by column chromatography (eluent: ethyl acetate/hexane mixed solvent) to afford the target product 2-(5-bromo-2-fluorobenzyl)benzo[b]thiophene (Compound 4) 30.4 g, with 99.5% purity and 90.1% yield.

[References]

[1] Patent: CN108276396, 2018, A. Location in patent: Paragraph 0041; 0048; 0049; 0064; 0079
[2] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 10, p. 3263 - 3279
[3] Patent: CN108623558, 2018, A. Location in patent: Paragraph 0042; 0044; 0046; 0048; 0050; 0052; 0054; 0056
1034305-17-3 suppliers list
Company Name: Beijing Cooperate Pharmaceutical Co.,Ltd  Gold
Telephone: +86-010-60279497 +86-15646567669
Website: http://www.cooperate-pharm.com
Company Name: Anqing CHICO Pharmaceutical Co., Ltd.  Gold
Telephone: 18061456370
Website: www.chicopharm.cn/
Company Name: Beijing Huikang Boyuan Chemical Tech Co., Ltd  
Telephone: 010-68862197 13810598707;13810598707
Website: http://www.huikangchem.com
Company Name: Shanghai Chemical Pharm-Intermediate Tech.Co., Ltd.  
Telephone: 21-54820552 17702105771
Website: https://www.chemicalbook.com/ShowSupplierProductsList13434/0_EN.htm
Company Name: Anhui Lianchuang Biological Medicine Co.,Ltd  
Telephone: 0551-68779238 18056025720
Website: http://www.lcywhx.com/
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Haoyuan Chemexpress Co., Ltd.  
Telephone: 021-58950125
Website: http://www.chemexpress.com.cn
Company Name: TargetMol Chemicals Inc.  
Telephone: 021-021-33632979 15002134094
Website: https://www.targetmol.cn/
Company Name: ShangHai Caerulum Pharma Discovery Co., Ltd.  
Telephone: 18149758185 18149758185
Website: www.caerulumpharma.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Chongqing Carechem Co.,Ltd.  
Telephone: 18680818008/15802381793
Website: www.chemicalbook.com/ShowSupplierProductsList16261/0_EN.htm
Company Name: Chengdu Firster Pharmaceutical Co., Ltd.  
Telephone: 028-87078428 028-87074958
Website: http://www.cdfirster.com
Company Name: Chengdu Aofan Pharmtech Co.,Ltd  
Telephone: 15281070185; 13038283958
Website: http://www.chengduaofanyiyao.com/
Company Name: NINGBO INNO PHARMCHEM CO.,LTD.  
Telephone: 86-574-27787657
Website: www.dearchem.com
Company Name: Shanghai YuLue Chemical Co., Ltd.  
Telephone: 021-60345187 13671753212
Website: https://www.chemicalbook.com/ShowSupplierProductsList16365/0_EN.htm
Company Name: Shanghai Synteam Biochem CO.,ltd  
Telephone: +86-021-58380978 13482386415
Website: http://www.systeambc.com
Company Name: Nova(Shanghai) Pharmaceutical Co.,Ltd  
Telephone: 21-58226973 18917146209
Website: http://www.novapharmas.com
Company Name: Intelligence Pharm Science(Shanghai) Co., Ltd.  
Telephone: 021-57898186
Website: www.chemicalbook.com/ShowSupplierProductsList16931/0_EN.htm
Tags:1034305-17-3 Related Product Information
81058-27-7 2653-16-9 951382-34-6 1034305-11-7 1034305-23-1 761423-87-4 877399-52-5 1103738-29-9 915095-89-5 915095-87-3 1279691-36-9 4196-35-4 915095-94-2 915095-86-2