Carbamic acid, dimethyl-, 3-nitrophenyl ester

Base Information

• Chemical Name: Carbamic acid, dimethyl-, 3-nitrophenyl ester
• CAS No.: 7304-99-6
• Molecular Formula: C9H10N2O4
• Molecular Weight: 210.189
• DSSTox Substance ID: DTXSID20223315
• Nikkaji Number: J1.567.015K
• Wikidata: Q83101762
• ChEMBL ID: CHEMBL2288489
• Mol file: 7304-99-6.mol

Synonyms:3-nitrophenyl dimethylcarbamate;7304-99-6;Carbamic acid, dimethyl-, 3-nitrophenyl ester;(3-nitrophenyl) N,N-dimethylcarbamate;AI3-33125;CHEMBL2288489;DTXSID20223315;AKOS002244008;Dimethylcarbamic acid 3-nitrophenyl ester;Carbamic acid, dimethyl-, m-nitrophenyl ester;AL-398/40365520;SR-01000261394;SR-01000261394-1;F1318-0213;Z274554972

Chemical Property of Carbamic acid, dimethyl-, 3-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 0.000549mmHg at 25°C
• Boiling Point: 311.8°C at 760 mmHg
• Flash Point: 142.4°C
• Density: 1.292g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Carbamic acid, dimethyl-, 3-nitrophenyl ester

There total 2 articles about Carbamic acid, dimethyl-, 3-nitrophenyl ester 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:

meta-nitrophenol (554-84-7) + N,N-Dimethylcarbamoyl chloride (79-44-7) → N,N-dimethyl-carbamic acid 3-nitro-phenyl ester (7304-99-6)

Guidance literature:

With pyridine; In benzene;

DOI:10.1021/jo01342a039

Reference yield:

meta-nitrophenol (554-84-7) + N,N-dimethyl-chlorocarbamate (145522-03-8) → N,N-dimethyl-carbamic acid 3-nitro-phenyl ester (7304-99-6)

Guidance literature:

With pyridine; triethylamine; In dichloromethane; for 72h; Inert atmosphere;

DOI:10.1021/jm901226j

Reference yield:

N,N-dimethyl-carbamic acid 3-nitro-phenyl ester (7304-99-6) → Dimethylcarbaminsaeure-3-aminophenylester (19962-04-0)

Guidance literature:

With 10% palladium on activated carbon; hydrogen; In tetrahydrofuran; acetic acid; for 18h;

DOI:10.1021/jm901226j

upstream raw materials:

meta-nitrophenol

N,N-Dimethylcarbamoyl chloride

N,N-dimethyl-chlorocarbamate

Downstream raw materials:

Dimethylcarbaminsaeure-3-aminophenylester

Refernces

• 1、 Xiao, Bin,Fu, Yao,Xu, Jun,Gong, Tian-Jun,Dai, Jian-Jun,Yi, Jun,Liu, Lei. "Pd(II)-catalyzed C-H activation/aryl-aryl coupling of phenol esters". supporting information; experimental part. p. 468 - 469. Retrieved 2010/03/25.