Chloromethyl (4-nitrophenyl) carbonate

Base Information

• Chemical Name: Chloromethyl (4-nitrophenyl) carbonate
• CAS No.: 50780-50-2
• Molecular Formula: C8H6ClNO5
• Molecular Weight: 231.592
• Hs Code.: 2920909090
• European Community (EC) Number: 824-627-1
• DSSTox Substance ID: DTXSID00380672
• Wikidata: Q82171061
• Mol file: 50780-50-2.mol

Synonyms:chloromethyl (4-nitrophenyl) carbonate;50780-50-2;chloromethyl 4-nitrophenyl carbonate;MFCD00208111;Carbonic acid, chloromethyl 4-nitrophenyl ester;4-chloromethoxycarbonyloxy-1-nitrobenzene;SCHEMBL24606;DTXSID00380672;PDTWCUYBIVJSTL-UHFFFAOYSA-N;Chloromethyl p-Nitrophenyl Carbonate;chloromethyl(4-nitrophenyl)carbonate;p-nitrophenyl chloromethyl carbonate;AKOS025213991;CS-0139136;EN300-256969;carbonic acid chloromethyl ester 4-nitro-phenyl ester

Chemical Property of Chloromethyl (4-nitrophenyl) carbonate

Chemical Property:

• PSA: 81.35000
• LogP: 2.82970
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 230.9934500
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

Chloromethyl4-NitrophenylCarbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Chloromethyl (4-nitrophenyl) carbonate

There total 3 articles about Chloromethyl (4-nitrophenyl) 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: 95.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + carbonochloridic acid, chloromethyl ester (22128-62-7) → 4-chloromethoxycarbonyloxy-1-nitrobenzene (50780-50-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + sodium hydrogencarbonate (144-55-8) + carbonochloridic acid, chloromethyl ester (22128-62-7) → 4-chloromethoxycarbonyloxy-1-nitrobenzene (50780-50-2)

Guidance literature:

With 4-methyl-morpholine; In chloroform;

Reference yield:

4-methyl-morpholine (109-02-4) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + carbonochloridic acid, chloromethyl ester (22128-62-7) → 4-chloromethoxycarbonyloxy-1-nitrobenzene (50780-50-2)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 14h;

upstream raw materials:

4-nitro-phenol

carbonochloridic acid, chloromethyl ester

sodium hydrogencarbonate

4-methyl-morpholine

Downstream raw materials:

O-4-nitrophenyl carbamate of piperidine

iodomethyl(4-nitrophenyl)carbonate

4-nitro-phenol

p-nitrophenyl N-iso-propylcarbamate