3-Iodo-4-methylbenzotrifluoride

Base Information

• Chemical Name: 3-Iodo-4-methylbenzotrifluoride
• CAS No.: 13055-62-4
• Molecular Formula: C8H6F3I
• Molecular Weight: 286.03300
• Hs Code.: 2903999090
• Mol file: 13055-62-4.mol

Synonyms:2-Iod-4-trifluormethyltoluol;3-Iodo-4-methylbenzotrifluoride;4-Trifluormethyl-2-jodtoluol;2-Jod-4-trifluormethyltoluol;

Chemical Property of 3-Iodo-4-methylbenzotrifluoride

Chemical Property:

• PSA: 0.00000
• LogP: 3.61840
• Storage Temp.: Refrigerated.

Purity/Quality:

98.5% ^*data from raw suppliers

2-Iodo-1-methyl-4-(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Iodo-4-methylbenzotrifluoride

There total 2 articles about 3-Iodo-4-methylbenzotrifluoride 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: 77.0%

→ 3-iodo-4-methylbenzotrifluoride (13055-62-4)

Guidance literature:

Reference yield:

3-amino-4-methylbenzotrifluoride (25449-96-1) → 3-iodo-4-methylbenzotrifluoride (13055-62-4)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. H₂SO₄, (ii) aq. KI, urea, H₂SO₄;

DOI:10.1016/0040-4020(77)80017-3

Reference yield:

3-iodo-4-methylbenzotrifluoride (13055-62-4) + 3-(2-ethynylphenyl)propan-1-ol (1239085-99-4) → C19H17F3O

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.0c08810

upstream raw materials:

3-amino-4-methylbenzotrifluoride

Downstream raw materials:

tert-Butyl-2-methyl-5-trifluorphenylhydroxylamin

Refernces