N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide

Base Information

• Chemical Name: N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide
• CAS No.: 652986-16-8
• Molecular Formula: C₁₈H₁₄ClN₅O₂
• Molecular Weight: 367.794
• Mol file: 652986-16-8.mol

Synonyms:N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide

Chemical Property of N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide

There total 2 articles about N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide 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:

phenyl isocyanate (103-71-9) + 1-(p-chlorophenyl)-4-ethoxycarbonyl-5-[(triphenylphosphoranylidene)amino]-1,2,3-triazole (272123-45-2) → N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide (652986-16-8)

Guidance literature:

In acetonitrile; for 4h; Heating;

DOI:10.1515/HC.2003.9.4.395

Reference yield:

ethyl 1-(4-chlorophenyl)-5-amino-1H-1,2,3-triazole-4-carboxylate (28924-62-1) → N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide (652986-16-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / hexachloroethane; acetonitrile / 3 h / 20 °C

2: dichloromethane / 20 °C / Inert atmosphere

With triethylamine; In dichloromethane; hexachloroethane; acetonitrile; 2: Aza-Wittig reaction;

DOI:10.1080/10426507.2011.590169

Reference yield: 92.0%

methanol (67-56-1) + N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide (652986-16-8) → 3-(4-chlorophenyl)-5-methoxy-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one (1330780-45-4)

Guidance literature:

methanol; N-[4-(ethoxycarbonyl)-1-(4'-chloro)phenyl-1,2,3-triazol-5-yl]-N'-phenylcarbodiimide; In dichloromethane; at 20 ℃;

With alcohol; sodium alkoxide; In dichloromethane; at 20 ℃;

DOI:10.1002/cjoc.201190201

upstream raw materials:

phenyl isocyanate

1-(p-chlorophenyl)-4-ethoxycarbonyl-5-[(triphenylphosphoranylidene)amino]-1,2,3-triazole

ethyl 1-(4-chlorophenyl)-5-amino-1H-1,2,3-triazole-4-carboxylate

Downstream raw materials:

1-(4-chloro-phenyl)-5-(N'-cyclohexyl-N''-phenyl-guanidino)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester

1-(4-chloro-phenyl)-5-(N'-ethyl-N''-phenyl-guanidino)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester

1-(4-chloro-phenyl)-5-(N'-isopropyl-N''-phenyl-guanidino)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester

5-(N'-tert-butyl-N''-phenyl-guanidino)-1-(4-chloro-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester