tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate

Base Information

• Chemical Name: tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate
• CAS No.: 433939-95-8
• Molecular Formula: C₁₃H₁₇F₂N₃O₂
• Molecular Weight: 285.294
• Mol file: 433939-95-8.mol

Synonyms:tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate

Chemical Property of tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate

There total 6 articles about tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate 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: 46.0%

tert-butyl N-([2,6-difluoro-4-[N-hydroxycarbamimidoyl]phenyl]methyl)carbamate (433939-94-7) → tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate (433939-95-8)

Guidance literature:

tert-butyl N-([2,6-difluoro-4-[N-hydroxycarbamimidoyl]phenyl]methyl)carbamate; With 5%-palladium/activated carbon; ammonium formate; acetic acid; at 120 ℃; for 1h;

With dmap; di-tert-butyl dicarbonate; sodium hydroxide; In methanol; water; at 20 ℃; for 1h;

Reference yield:

tert-butyl N-[(4-cyano-2,6-difluorophenyl)methyl]carbamate (633336-82-0) → tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate (433939-95-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate; hydroxylamine hydrochloride / methanol / 1 h / 60 °C

2.1: acetic acid; ammonium formate; 5%-palladium/activated carbon / 1 h / 120 °C

2.2: 1 h / 20 °C

With 5%-palladium/activated carbon; hydroxylamine hydrochloride; ammonium formate; potassium carbonate; acetic acid; In methanol;

Reference yield:

(4-bromo-2,6-difluoro-phenyl)methanol (162744-59-4) → tert-butyl N-[(4-carbamimidoyl-2,6-difluorophenyl)methyl]carbamate (433939-95-8)

Guidance literature:

Multi-step reaction with 6 steps

1.1: thionyl chloride / dichloromethane / 16 h / 0 - 20 °C

2.1: ammonia / 1,4-dioxane / 17 h / 20 °C

3.1: dmap / dichloromethane; methanol / 1 h / 20 °C

4.1: tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,1'-bis-(diphenylphosphino)ferrocene / water; N,N-dimethyl-formamide / 1 h / 120 °C

5.1: potassium carbonate; hydroxylamine hydrochloride / methanol / 1 h / 60 °C

6.1: acetic acid; ammonium formate; 5%-palladium/activated carbon / 1 h / 120 °C

6.2: 1 h / 20 °C

With dmap; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 1,1'-bis-(diphenylphosphino)ferrocene; thionyl chloride; 5%-palladium/activated carbon; hydroxylamine hydrochloride; ammonia; ammonium formate; potassium carbonate; acetic acid; In 1,4-dioxane; methanol; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

(4-bromo-2,6-difluoro-phenyl)methanol

5-bromo-2-(chloromethyl)-1,3-difluorobenzene

(4-bromo-2,6-difluorophenyl)methanamine

tert-butyl N-[(4-bromo-2,6-difluorophenyl)methyl]carbamate