(1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroethanimidoyl chloride

Base Information

• Chemical Name: (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroethanimidoyl chloride
• CAS No.: 916974-26-0
• Molecular Formula: C₁₀H₈BrClF₃NO
• Molecular Weight: 330.532
• DSSTox Substance ID: DTXSID00701106
• Mol file: 916974-26-0.mol

Synonyms:(1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroethanimidoyl chloride;916974-26-0;DTXSID00701106;ZXSVEQVXIRPXRO-SXGWCWSVSA-N;ZXSVEQVXIRPXRO-UHFFFAOYSA-N

Chemical Property of (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroethanimidoyl chloride

Chemical Property:

• PSA: 21.59000
• LogP: 4.42120
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 328.94299
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)N=C(C(F)(F)F)Cl)CBr

Technology Process of (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroethanimidoyl chloride

There total 2 articles about (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroethanimidoyl chloride 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: 88.0%

(Z)-2,2,2-trifluoro-N-(4-methoxy-2-methylphenyl)acetimidoyl chloride → N-[2-(bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroacetimidoyl chloride (916974-26-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Heating;

DOI:10.1055/s-2007-967950 DOI:10.1016/j.jfluchem.2007.04.023

Reference yield:

2-methyl-4-methoxyaniline (102-50-1) → N-[2-(bromomethyl)-4-methoxyphenyl]-2,2,2-trifluoroacetimidoyl chloride (916974-26-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / triphenyl phosphine; Et₃N / CCl₄ / 3 h / Heating

2: 88 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / Heating

With N-Bromosuccinimide; triethylamine; triphenylphosphine; dibenzoyl peroxide; In tetrachloromethane;

DOI:10.1016/j.jfluchem.2007.04.023

upstream raw materials:

2-methyl-4-methoxyaniline

Refernces

• 1、 Wang, Zengxue,Ge, Fenglian,Wan, Wen,Jiang, Haizhen,Hao, Jian. "Fluorinated N-[2-(haloalkyl)phenyl]imidoyl chloride, a key intermediate for the synthesis of 2-fluoroalkyl substituted indole derivatives via Grignard cyclization process". . p. 1143 - 1152. Retrieved 2008/02/08.