[4-({[5-Cyclopropyl-2-(4-Fluorophenyl)-3-(Methylcarbamoyl)-1-Benzofuran-6-Yl](Methylsulfonyl)amino}methyl)-2-Fluorophenyl]boronic Acid

Base Information

Chemical Name:[4-({[5-Cyclopropyl-2-(4-Fluorophenyl)-3-(Methylcarbamoyl)-1-Benzofuran-6-Yl](Methylsulfonyl)amino}methyl)-2-Fluorophenyl]boronic Acid
CAS No.:1331942-30-3
Molecular Formula:C₂₇H₂₅BF₂N₂O₆S
Molecular Weight:554.379
Hs Code.:
UNII:6G04C5ZNQJ
Nikkaji Number:J3.308.129D
Wikidata:Q27452332
ChEMBL ID:CHEMBL3121193

[4-({[5-Cyclopropyl-2-(4-Fluorophenyl)-3-(Methylcarbamoyl)-1-Benzofuran-6-Yl](Methylsulfonyl)amino}methyl)-2-Fluorophenyl]boronic Acid

Synonyms:GSK2485852;GSK5852

Suppliers and Price of [4-({[5-Cyclopropyl-2-(4-Fluorophenyl)-3-(Methylcarbamoyl)-1-Benzofuran-6-Yl](Methylsulfonyl)amino}methyl)-2-Fluorophenyl]boronic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [4-({[5-Cyclopropyl-2-(4-Fluorophenyl)-3-(Methylcarbamoyl)-1-Benzofuran-6-Yl](Methylsulfonyl)amino}methyl)-2-Fluorophenyl]boronic Acid

Chemical Property:

Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:554.1494442
Heavy Atom Count:39
Complexity:974

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B(C1=C(C=C(C=C1)CN(C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)C5CC5)S(=O)(=O)C)F)(O)O
Recent ClinicalTrials:A First Time in Human Study to Assess the Safety, Tolerability, Pharmacokinetics, and Antiviral Activity of Single and Repeat Doses of GSK2485852 in Chronically Infected Hepatitis C Subjects

Technology Process of [4-({[5-Cyclopropyl-2-(4-Fluorophenyl)-3-(Methylcarbamoyl)-1-Benzofuran-6-Yl](Methylsulfonyl)amino}methyl)-2-Fluorophenyl]boronic Acid

There total 16 articles about [4-({[5-Cyclopropyl-2-(4-Fluorophenyl)-3-(Methylcarbamoyl)-1-Benzofuran-6-Yl](Methylsulfonyl)amino}methyl)-2-Fluorophenyl]boronic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

: (4-(((5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-benzofuran-6-yl)amino)methyl)-2-fluorophenyl)boronic acid

: 124-63-0
methanesulfonyl chloride

: 1331942-30-3
(4-((N-(5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-benzofuran-6-yl)methylsulfonamido)methyl)-2-fluorophenyl)-boronic acid

Guidance literature:: at 0 ℃; for 8h; Inert atmosphere;
DOI:10.1021/acs.joc.5b01598

Reference yield: 79.0%

: 6-(N-(4-borono-3-fluorobenzyl)methylsulfonamido)-5-cyclopropyl-2-(4-fluorophenyl)benzofuran-3-carboxylic acid

: 593-51-1
methylamine hydrochloride

: 1331942-30-3
(4-((N-(5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-benzofuran-6-yl)methylsulfonamido)methyl)-2-fluorophenyl)-boronic acid

Guidance literature:: With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 10 ℃; for 2h; Inert atmosphere;
DOI:10.1021/acs.joc.5b01598

Reference yield:

ethyl 5-cyclopropyl-2-(4-fluorophenyl)-6-nitrobenzofuran-3-carboxylate: 691857-52-0
ethyl 5-cyclopropyl-2-(4-fluorophenyl)-6-nitrobenzofuran-3-carboxylate

: 1331942-30-3
(4-((N-(5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-benzofuran-6-yl)methylsulfonamido)methyl)-2-fluorophenyl)-boronic acid

Guidance literature:: Multi-step reaction with 6 steps

1: palladium 10% on activated carbon; hydrogen / methanol; dichloromethane / 15 h / 30 °C / 15 Torr / Inert atmosphere

2: acetic acid / methanol / 0.25 h / 25 °C / Inert atmosphere

3: borane pyridine / methanol / 1.08 h / Inert atmosphere

4: pyridine / 48 h / 35 °C / Inert atmosphere

5: potassium hydroxide; water / methanol / 6 h / 60 °C / Inert atmosphere

6: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 10 °C / Inert atmosphere

With pyridine; borane pyridine; palladium 10% on activated carbon; water; hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; acetic acid; N-ethyl-N,N-diisopropylamine; potassium hydroxide; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/acs.joc.5b01598