4-Nitrophenyl 1,2,2,2-tetrachloroethyl carbonate

Base Information

• Chemical Name: 4-Nitrophenyl 1,2,2,2-tetrachloroethyl carbonate
• CAS No.: 107960-06-5
• Molecular Formula: C9H5Cl4NO5
• Molecular Weight: 348.954
• DSSTox Substance ID: DTXSID70546324
• Mol file: 107960-06-5.mol

Synonyms:107960-06-5;4-Nitrophenyl 1,2,2,2-tetrachloroethyl carbonate;SCHEMBL10456422;DTXSID70546324

Chemical Property of 4-Nitrophenyl 1,2,2,2-tetrachloroethyl carbonate

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 348.889233
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC(C(Cl)(Cl)Cl)Cl

Technology Process of 4-Nitrophenyl 1,2,2,2-tetrachloroethyl carbonate

There total 1 articles about 4-Nitrophenyl 1,2,2,2-tetrachloroethyl carbonate 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: 75.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1,2,2,2-tetrachloroethyl chloroformate (98015-53-3) → 1,2,2,2-tetrachloroethyl 4-nitrophenyl carbonate (107960-06-5)

Guidance literature:

With triethylamine; In Petroleum ether; benzene; for 4h; Ambient temperature;

DOI:10.1021/jo00388a005

Reference yield: 62.0%

N-tert-butoxycarbonyl-L-phenylalanine (13734-34-4) + 1,2,2,2-tetrachloroethyl 4-nitrophenyl carbonate (107960-06-5) → N-t-butoxycarbonyl-L-phenylalanine 4-nitrophenyl ester (7535-56-0)

Guidance literature:

With 4-methyl-morpholine; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jo00388a005

upstream raw materials:

4-nitro-phenol

1,2,2,2-tetrachloroethyl chloroformate

Downstream raw materials:

N-t-butoxycarbonyl-L-phenylalanine 4-nitrophenyl ester