2-METHYL-4-(TRIFLUOROMETHOXY)IODOBENZENE

Base Information

• Chemical Name: 2-METHYL-4-(TRIFLUOROMETHOXY)IODOBENZENE
• CAS No.: 886763-05-9
• Molecular Formula: C8H6F3IO
• Molecular Weight: 302.035
• Hs Code.: 2909309090
• European Community (EC) Number: 693-646-3
• DSSTox Substance ID: DTXSID70382567
• Wikidata: Q82173922
• Mol file: 886763-05-9.mol

Synonyms:2-METHYL-4-(TRIFLUOROMETHOXY)IODOBENZENE;1-Iodo-2-methyl-4-(trifluoromethoxy)benzene, 4-Iodo-3-methyl-alpha,alpha,alpha-trifluoroanisole, 4-Iodo-3-methylphenyl trifluoromethyl ether;2-Iodo-5-(trifluoromethoxy)toluene;1-Iodo-2-Methyl-4-(trifluoroMethoxy)benzene

Chemical Property of 2-METHYL-4-(TRIFLUOROMETHOXY)IODOBENZENE

Chemical Property:

• Vapor Pressure: 0.174mmHg at 25°C
• Refractive Index: n 20/D 1.508
• Boiling Point: 219.7°C at 760 mmHg
• Flash Point: 110 °C
• PSA: 9.23000
• Density: 1.776 g/mL at 25 °C
• LogP: 3.49820
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 301.94155
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98.5% ^*data from raw suppliers

2-Methyl-4-(trifluoromethoxy)iodobenzene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC(F)(F)F)I

Technology Process of 2-METHYL-4-(TRIFLUOROMETHOXY)IODOBENZENE

There total 1 articles about 2-METHYL-4-(TRIFLUOROMETHOXY)IODOBENZENE 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:

2-methyl-4-trifluoromethoxy-phenylamine (86256-59-9) → 1-iodo-2-methyl-4-(trifluoromethoxy)benzene (886763-05-9)

Guidance literature:

2-methyl-4-trifluoromethoxy-phenylamine; With sulfuric acid; sodium nitrite; In ethanol; water; at 0 - 20 ℃; for 5h;

With sodium iodide; In ethanol; water; at 0 - 20 ℃; for 16h;

Reference yield: 79.0%

1H-indene-1,3(2H)-dione (606-23-5) + 1-iodo-2-methyl-4-(trifluoromethoxy)benzene (886763-05-9) → 2-(2-methyl-4-(trifluoromethoxy)phenyl)-1H-indene-1,3(2H)-dione

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); potassium tert-butylate; tert-butyl XPhos; In 1,4-dioxane; at 110 ℃; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.joc.1c01149

Reference yield: 75.0%

1-iodo-2-methyl-4-(trifluoromethoxy)benzene (886763-05-9) + 2,4-Dimethoxybenzaldehyde (613-45-6) → (2,4-dimethoxyphenyl)(2-methyl-4-(trifluoromethoxy)phenyl)methanol

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; sodium formate; caesium carbonate; In 1,2-dimethoxyethane; at 130 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.8b13652

upstream raw materials:

2-methyl-4-trifluoromethoxy-phenylamine

Downstream raw materials:

C₂₁H₂₁F₃O₄

Refernces