4-Nitrophenyl dimethylcarbamate

Base Information

• Chemical Name: 4-Nitrophenyl dimethylcarbamate
• CAS No.: 7244-70-4
• Molecular Formula: C9H10N2O4
• Molecular Weight: 210.189
• Hs Code.: 2924299090
• European Community (EC) Number: 850-940-8
• DSSTox Substance ID: DTXSID10222736
• Nikkaji Number: J477.098F
• Wikidata: Q83101053
• ChEMBL ID: CHEMBL1453207
• Mol file: 7244-70-4.mol

Synonyms:4-nitrophenyl dimethylcarbamate;p-nitrophenyl dimethylcarbamate;PNP dimethylcarbamate

Chemical Property of 4-Nitrophenyl dimethylcarbamate

Chemical Property:

• Vapor Pressure: 0.000181mmHg at 25°C
• Boiling Point: 329.1°Cat760mmHg
• Flash Point: 152.9°C
• PSA: 75.36000
• Density: 1.292g/cm³
• LogP: 2.17840
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%Min ^*data from raw suppliers

4-nitrophenylN,N-dimethylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Nitrophenyl dimethylcarbamate

There total 3 articles about 4-Nitrophenyl dimethylcarbamate 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: 91.81%

bis-(p-nitrophenyl) carbonate (5070-13-3) + dimethyl amine (124-40-3) → 4-nitrophenyl dimethylcarbamate (7244-70-4)

Guidance literature:

In water; toluene; at 0 - 20 ℃; for 3h; Product distribution / selectivity;

Reference yield: 78.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N,N-Dimethylcarbamoyl chloride (79-44-7) → 4-nitrophenyl dimethylcarbamate (7244-70-4)

Guidance literature:

With potassium carbonate; In acetonitrile; for 5h; Inert atmosphere; Reflux;

DOI:10.1021/jo300713h

Reference yield:

→ 4-nitrophenyl dimethylcarbamate (7244-70-4)

Guidance literature:

entspr. Phenol, Dimethylisocyanat;

DOI:10.1021/jf60150a020

upstream raw materials:

4-nitro-phenol

N,N-Dimethylcarbamoyl chloride

bis-(p-nitrophenyl) carbonate

dimethyl amine

Downstream raw materials:

O-Dimethylcarbamoyl-acetamidoxim

p-nitrophenolate

norneostigmine

C₉H₁₀N₂O₅