Benzofuran-6-YL trifluoromethanesulfonate

Base Information

• Chemical Name: Benzofuran-6-YL trifluoromethanesulfonate
• CAS No.: 227752-25-2
• Molecular Formula: C9H5F3O4S
• Molecular Weight: 266.198
• UNII: E7ZY55WS9P
• DSSTox Substance ID: DTXSID40463478
• Nikkaji Number: J1.383.429F
• Mol file: 227752-25-2.mol

Synonyms:227752-25-2;BENZOFURAN-6-YL TRIFLUOROMETHANESULFONATE;1-BENZOFURAN-6-YL TRIFLUOROMETHANESULFONATE;SCHEMBL7410;E7ZY55WS9P;Trifluoromethanesulfonic acid benzofuran-6-yl ester;DTXSID40463478;Methanesulfonic acid, 1,1,1-trifluoro-, 6-benzofuranyl ester;MB09162;Benzo[b]furan-6-yl trifluoromethanesulfonate;6-Benzofuranyl 1,1,1-trifluoromethanesulfonate;BENZOFURAN-6-YLTRIFLUOROMETHANESULFONATE;A911302;Methanesulfonic acid, trifluoro-, 6-benzofuranyl ester

Chemical Property of Benzofuran-6-YL trifluoromethanesulfonate

Chemical Property:

• PSA: 64.89000
• LogP: 3.74200
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 265.98606430
• Heavy Atom Count: 17
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

Benzofuran-6-yltrifluoromethanesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CO2)OS(=O)(=O)C(F)(F)F

Technology Process of Benzofuran-6-YL trifluoromethanesulfonate

There total 8 articles about Benzofuran-6-YL trifluoromethanesulfonate 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: 96.0%

6-hydroxybenzofuran (13196-11-7) + N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) → trifluoromethanesulfonic acid benzofuran-6-yl ester (227752-25-2)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/S0040-4039(00)00965-5

Reference yield: 90.0%

N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) + 6-(tert-butyl-dimethylsilanyloxy)-[2H]-benzofuran-3-one (299912-77-9) → trifluoromethanesulfonic acid benzofuran-6-yl ester (227752-25-2)

Guidance literature:

6-(tert-butyl-dimethylsilanyloxy)-[2H]-benzofuran-3-one; With sodium tetrahydroborate; In methanol; at 20 ℃; for 12h;

With hydrogenchloride; In methanol; water; acetone; at 20 ℃;

N,N-phenylbistrifluoromethane-sulfonimide; With triethylamine; In dichloromethane; at 0 - 20 ℃;

Reference yield: 88.0%

6-hydroxybenzofuran (13196-11-7) + trifluoromethylsulfonic anhydride (358-23-6) → trifluoromethanesulfonic acid benzofuran-6-yl ester (227752-25-2)

Guidance literature:

In pyridine; dichloromethane;

DOI:10.1080/00397911.2013.855788

upstream raw materials:

6-hydroxybenzofuran

N,N-phenylbistrifluoromethane-sulfonimide

6-hydroxybenzofuran-3-one

6-(tert-butyl-dimethylsilanyloxy)-[2H]-benzofuran-3-one

Downstream raw materials:

((S)-benzyl 2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-methylsulfonyl)phenyl)propanoate

(S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid

benzo[b]furan-6-carbonitrile

(2,3-dihydrobenzofuran-6-yl)methanol