Benzofuran, 3-(trifluoromethyl)-

Base Information

• Chemical Name: Benzofuran, 3-(trifluoromethyl)-
• CAS No.: 65715-21-1
• Molecular Formula: C9H5F3O
• Molecular Weight: 186.13100
• Hs Code.: 2932990090
• Mol file: 65715-21-1.mol

Synonyms:3-trifluoromethyl-benzofuran;

Chemical Property of Benzofuran, 3-(trifluoromethyl)-

Chemical Property:

• Boiling Point: 183.0±35.0 °C(Predicted)
• PSA: 13.14000
• Density: 1.330±0.06 g/cm3(Predicted)
• LogP: 3.45160

Purity/Quality:

98%min ^*data from raw suppliers

3-(Trifluoromethyl)benzofuran 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzofuran, 3-(trifluoromethyl)-

There total 3 articles about Benzofuran, 3-(trifluoromethyl)- 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: 11.0%

3-bromobenzofuran (59214-70-9) + iodotrifluoromethane (2314-97-8,263005-66-9) → 2-(trifluoromethyl)benzofuran (65715-20-0) + 3-(trifluoromethyl)benzofuran (65715-21-1) + 3-(pentafluoroethyl)benzofuran (74881-65-5) + 2-(pentafluoroethyl)benzofuran (74881-66-6)

Guidance literature:

With copper; In N,N-dimethyl-formamide; at 140 ℃; Further byproducts given;

DOI:10.1039/P19800000661

Reference yield:

1-benzofurane (271-89-6) + trifluoromethane sulfonyl chloride (421-83-0) → 2-(trifluoromethyl)benzofuran (65715-20-0) + 3-(trifluoromethyl)benzofuran (65715-21-1)

Guidance literature:

With N,N,N,N-tetraethylammonium tetrafluoroborate; triethylamine; In acetonitrile; Overall yield = 29 percentSpectr.; Electrochemical reaction;

DOI:10.1021/acs.orglett.9b02948

Reference yield:

→ 3-(trifluoromethyl)benzofuran (65715-21-1)

Guidance literature:

3-Brombenzofuran (VIII), CF3I, Cu;

upstream raw materials:

3-bromobenzofuran

iodotrifluoromethane

1-benzofurane

trifluoromethane sulfonyl chloride

Refernces

• 1、 Kobayashi, Yoshiro,Kumadaki, Itsumaro. "Studies on Organic Fluorine Compounds. Part 27. Abnormal Reactions in the Trifluoromethylation of Aromatic Compounds with Trifluoromethyl Iodide and Copper Powder". . p. 661 - 664. Retrieved 2007/10/02.