N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide

Base Information

• Chemical Name: N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide
• CAS No.: 150596-95-5
• Molecular Formula: C₁₃H₁₄ClN₃
• Molecular Weight: 247.727
• Mol file: 150596-95-5.mol

Synonyms:N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide

Chemical Property of N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide

There total 4 articles about N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide 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: 86.0%

2-isocyano-2-methylbutane (13947-76-7) + 3-amino-5-chloro-benzonitrile (53312-78-0) → N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide (150596-95-5)

Guidance literature:

With 4 A molecular sieve; silver(l) oxide; nickel dichloride; In benzene; for 1h; Heating; effectivity of the other catalysts and oxidants;

DOI:10.1021/jo00071a021

Reference yield:

1-(3-Chloro-5-cyano-phenyl)-3-(1,1-dimethyl-propyl)-thiourea (144930-87-0) → N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide (150596-95-5)

Guidance literature:

With triethylamine; triphenylphosphine; In tetrachloromethane; dichloromethane; for 5h; Heating;

Reference yield:

3-amino-5-chloro-benzonitrile (53312-78-0) → N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide (150596-95-5)

Guidance literature:

Multi-step reaction with 3 steps

1: ethyl acetate / 1.5 h / 75 °C

2: ethyl acetate / 1 h / Ambient temperature

3: Ph₃P, Et₃N / CH₂Cl₂; CCl₄ / 5 h / Heating

With triethylamine; triphenylphosphine; In tetrachloromethane; dichloromethane; ethyl acetate;

upstream raw materials:

2-isocyano-2-methylbutane

3-amino-5-chloro-benzonitrile

1-(3-Chloro-5-cyano-phenyl)-3-(1,1-dimethyl-propyl)-thiourea

3-Chloro-5-isothiocyanato-benzonitrile