N-[2-(Bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroacetimidoyl chloride

Base Information

• Chemical Name: N-[2-(Bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroacetimidoyl chloride
• CAS No.: 930778-46-4
• Molecular Formula: C₉H₅BrClF₄N
• Molecular Weight: 318.496
• DSSTox Substance ID: DTXSID80581746
• Mol file: 930778-46-4.mol

Synonyms:930778-46-4;N-[2-(BROMOMETHYL)-5-FLUOROPHENYL]-2,2,2-TRIFLUOROACETIMIDOYL CHLORIDE;DTXSID80581746;NAQROJVNWKJABU-UHFFFAOYSA-N;(1Z)-N-[2-(Bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroethanimidoyl chloride

Chemical Property of N-[2-(Bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroacetimidoyl chloride

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 316.92300
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N=C(C(F)(F)F)Cl)CBr

Technology Process of N-[2-(Bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroacetimidoyl chloride

There total 2 articles about N-[2-(Bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroacetimidoyl 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: 82.0%

N-(5-fluoro-2-methylphenyl)-2,2,2-trifluoroacetimidoyl chloride → N-[2-(bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroacetimidoyl chloride (930778-46-4)

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:

3-fluoro-6-methylaniline (367-29-3) → N-[2-(bromomethyl)-5-fluorophenyl]-2,2,2-trifluoroacetimidoyl chloride (930778-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / triphenyl phosphine; Et₃N / CCl₄ / 3 h / Heating

2: 82 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:

3-fluoro-6-methylaniline

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