p-Nitrophenyl dimethylsulphamate

Base Information

• Chemical Name: p-Nitrophenyl dimethylsulphamate
• CAS No.: 1142-27-4
• Molecular Formula: C8H10 N2 O5 S
• Molecular Weight: 246.244
• European Community (EC) Number: 214-533-3
• DSSTox Substance ID: DTXSID00921302
• Nikkaji Number: J203.398D
• Wikidata: Q27122895
• Metabolomics Workbench ID: 57938
• Mol file: 1142-27-4.mol

Synonyms:p-Nitrophenyl dimethylsulphamate;1142-27-4;4-nitrophenyl dimethylsulfamate;p-nitrophenyl dimethylsulfamate;(4-nitrophenyl) N,N-dimethylsulfamate;SCHEMBL14596896;CHEBI:51875;DTXSID00921302;EINECS 214-533-3;(4-Nitrophenyl)n,N-dimethylsulfamate;AKOS000597690;Dimethylsulfamic acid 4-nitrophenyl ester;Q27122895

Chemical Property of p-Nitrophenyl dimethylsulphamate

Chemical Property:

• Vapor Pressure: 6.78E-06mmHg at 25°C
• Boiling Point: 377.4°Cat760mmHg
• Flash Point: 182°C
• PSA: 100.81000
• Density: 1.447g/cm³
• LogP: 2.38400
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 246.03104260
• Heavy Atom Count: 16
• Complexity: 334

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of p-Nitrophenyl dimethylsulphamate

There total 3 articles about p-Nitrophenyl dimethylsulphamate 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: 90.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + dimethylamino sulfonyl chloride (13360-57-1) → p-nitrophenyl N,N-dimethylsulphamate (1142-27-4)

Guidance literature:

4-nitro-phenol; With dmap; triethylamine; In dichloromethane; at 20 ℃; for 0.166667h;

dimethylamino sulfonyl chloride; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/ol401021x

Reference yield:

4-(4-nitrophenoxy)butanoic acid (28341-54-0) + dimethylamino sulfonyl chloride (13360-57-1) → p-nitrophenyl N,N-dimethylsulphamate (1142-27-4)

Guidance literature:

With xylene;

Reference yield:

→ p-nitrophenyl N,N-dimethylsulphamate (1142-27-4)

Guidance literature:

Natrium-Salz des 4-Nitrophenols, N,N-Dimethylsulfamoylchlorid, sd. Butanon;

upstream raw materials:

4-(4-nitrophenoxy)butanoic acid

dimethylamino sulfonyl chloride

4-nitro-phenol

Downstream raw materials:

tert-butyl 4-nitrobenzylcarbamate

4-methoxy-4'-nitrobiphenyl

1-(4-nitrophenyl)-1H-imidazole

3-(4-nitrophenyl)acrylic acid n-butyl ester

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