(1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride

Base Information

• Chemical Name: (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride
• CAS No.: 923569-78-2
• Molecular Formula: C₁₂H₈BrClF₇NO
• Molecular Weight: 430.547
• DSSTox Substance ID: DTXSID60701107
• Mol file: 923569-78-2.mol

Synonyms:923569-78-2;(1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride;N-[2-(BROMOMETHYL)-4-METHOXYPHENYL]-2,2,3,3,4,4,4-HEPTAFLUOROBUTANIMIDOYL CHLORIDE;DTXSID60701107;ZSKDAYLWELBABO-UHFFFAOYSA-N

Chemical Property of (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride

Chemical Property:

• PSA: 21.59000
• LogP: 5.69180
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 428.93660
• Heavy Atom Count: 23
• Complexity: 444

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(C(C(F)(F)F)(F)F)(F)F)Cl)CBr

Technology Process of (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride

There total 2 articles about (1Z)-N-[2-(Bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl 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: 83.0%

N-(4-methoxy-2-methylphenyl)-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride (923569-77-1) → N-[2-(bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride (923569-78-2)

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]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride (923569-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / triphenyl phosphine; Et₃N / CCl₄ / 3 h / Heating

2: 83 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / Heating

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

DOI:10.1016/j.jfluchem.2007.04.023

Reference yield: 76.0%

N-[2-(bromomethyl)-4-methoxyphenyl]-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride (923569-78-2) → 5-methoxy-2-perfluoropropylindole (923569-79-3)

Guidance literature:

With magnesium; In tetrahydrofuran; at 0 ℃; for 2h;

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

upstream raw materials:

N-(4-methoxy-2-methylphenyl)-2,2,3,3,4,4,4-heptafluorobutanimidoyl chloride

2-methyl-4-methoxyaniline

Downstream raw materials:

5-methoxy-2-perfluoropropylindole