1-(trifluoroMethyl)-3-Methoxy-5-Methylbenzene

Base Information

• Chemical Name: 1-(trifluoroMethyl)-3-Methoxy-5-Methylbenzene
• CAS No.: 1214385-12-2
• Molecular Formula: C9H9F3O
• Molecular Weight: 190.1623696
• Hs Code.: 2922498590
• Mol file: 1214385-12-2.mol

Synonyms:1-(trifluoroMethyl)-3-Methoxy-5-Methylbenzene;3-Methoxy-5-methylbenzotrifluoride

Chemical Property of 1-(trifluoroMethyl)-3-Methoxy-5-Methylbenzene

Chemical Property:

• PSA: 9.23000
• LogP: 3.02240

Purity/Quality:

97% ^*data from raw suppliers

1-(Trifluoromethyl)-3-methoxy-5-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(trifluoroMethyl)-3-Methoxy-5-Methylbenzene

There total 5 articles about 1-(trifluoroMethyl)-3-Methoxy-5-Methylbenzene 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: 85.0%

2-(3-methoxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (479411-93-3) + methyl iodide (74-88-4) → 1-methoxy-3-methyl-5-(trifluoromethyl)benzene (1214385-12-2)

Guidance literature:

With C₂₁H₃₀ClNPPd; potassium tert-butylate; In tert-Amyl alcohol; at 65 ℃; for 18h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1021/acs.orglett.9b00025

Reference yield:

1-bromo-3-methoxy-5-(trifluoromethyl)benzene (627527-23-5) + benzaldehyde dimethyl acetal (1125-88-8) → 1-methoxy-3-methyl-5-(trifluoromethyl)benzene (1214385-12-2)

Guidance literature:

With nickel(II) bromide dimethoxyethane; potassium phosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; 4,4'-di-tert-butyl-2,2'-bipyridine; In acetonitrile; benzene; for 24h; Glovebox; Sealed tube; Irradiation;

DOI:10.1021/jacs.1c12203

Reference yield:

3-(trifluoromethyl)anisole (454-90-0) → 1-methoxy-3-methyl-5-(trifluoromethyl)benzene (1214385-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine / tetrahydrofuran / 18 h / 85 °C / Glovebox; Inert atmosphere

2: potassium tert-butylate; C₂₁H₃₀ClNPPd / tert-Amyl alcohol / 18 h / 65 °C / Sealed tube; Inert atmosphere; Glovebox

With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; C₂₁H₃₀ClNPPd; potassium tert-butylate; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; tert-Amyl alcohol;

DOI:10.1021/acs.orglett.9b00025

upstream raw materials:

2-(3-methoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1-methoxy-3-methyl-benzene

2-(3-methoxy-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

methyl iodide

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