2-Methyl-5-(trifluoromethyl)furan

Base Information

• Chemical Name: 2-Methyl-5-(trifluoromethyl)furan
• CAS No.: 17515-75-2
• Molecular Formula: C6H5F3O
• Molecular Weight: 150.1
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID70449523
• Wikidata: Q72492018
• Mol file: 17515-75-2.mol

Synonyms:2-methyl-5-(trifluoromethyl)furan;17515-75-2;Furan, 2-methyl-5-(trifluoromethyl)-;2-methyl-5-trifluoromethylfuran;5-Methyl-2-(trifluoromethyl)furan;2-Methyl-5-trifluoromethyl-furan;C6H5F3O;2-Methyl-5-(trifluoromethyl)-furan;SCHEMBL254677;DTXSID70449523;SKTSJDHMJNIDDY-UHFFFAOYSA-N;UXZGSXHGFCGOGC-UHFFFAOYSA-N;BCP11258;MFCD08437602;AKOS006222052;AC-6347;FS-2028;SB61242;AM807110;A3875;CS-0316408;FT-0672262

Chemical Property of 2-Methyl-5-(trifluoromethyl)furan

Chemical Property:

• Vapor Pressure: 39.347mmHg at 25°C
• Refractive Index: 1.381
• Boiling Point: 102.172 °C at 760 mmHg
• Flash Point: 15.594 °C
• PSA: 13.14000
• Density: 1.23 g/cm³
• LogP: 2.60680
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 150.02924926
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-5-(trifluoromethyl)furan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C(F)(F)F
• Uses: Trifluoromethyl furan derivative.

Technology Process of 2-Methyl-5-(trifluoromethyl)furan

There total 8 articles about 2-Methyl-5-(trifluoromethyl)furan 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: 54.0%

2-trifluoromethyl-5-methyl-3-furancarboxylic acid (17515-74-1) → 2-methyl-5-(trifluoromethyl)furan (17515-75-2)

Guidance literature:

With copper(I) sulfate; In quinoline; at 230 ℃;

Reference yield: 42.0%

1,1,1-trifluoro-2,5-hexanedione (191598-69-3) → 2-methyl-5-(trifluoromethyl)furan (17515-75-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 55h; Heating;

DOI:10.1016/S0022-1139(96)03518-X

Reference yield:

2-methylfuran (534-22-5) + trifluoromethane sulfonyl chloride (421-83-0) → 2-methyl-5-(trifluoromethyl)furan (17515-75-2)

Guidance literature:

With dipotassium hydrogenphosphate; lithium perchlorate; In acetonitrile; at 20 ℃; for 24h; Schlenk technique; Inert atmosphere; Electrochemical reaction;

DOI:10.1021/acs.orglett.0c01906

upstream raw materials:

1,1,1-trifluoro-2,5-hexanedione

ethyl 4-oxo-2-(2,2,2-trifluoroacetyl)pentanoate

2-trifluoromethyl-5-methyl-3-furancarboxylic acid

2-methylfuran

Downstream raw materials:

2-(bromomethyl)-5-(trifluoromethyl)furan

Refernces

• 1、 Rodrigo, Sachini,Um, Chanchamnan,Mixdorf, Jason C.,Gunasekera, Disni,Nguyen, Hien M.,Luo, Long. "Alternating current electrolysis for organic electrosynthesis: Trifluoromethylation of (hetero)arenes". supporting information. p. 6719 - 6723. Retrieved 2020/07/30.
• 2、 Harris, Caleb F.,Kuehner, Christopher S.,Bacsa, John,Soper, Jake D.. "Photoinduced Cobalt(III)?Trifluoromethyl Bond Activation Enables Arene C?H Trifluoromethylation". supporting information. p. 1311 - 1315. Retrieved 2018/01/27.