Tert-butyl methyl(3-nitrophenyl)carbamate

Base Information

• Chemical Name: Tert-butyl methyl(3-nitrophenyl)carbamate
• CAS No.: 528882-15-7
• Molecular Formula: C12H16N2O4
• Molecular Weight: 252.27
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30468098
• Mol file: 528882-15-7.mol

Synonyms:TERT-BUTYL METHYL(3-NITROPHENYL)CARBAMATE;528882-15-7;Tert-butyl N-methyl-N-(3-nitrophenyl)carbamate;tert-Butyl methyl 3-nitrophenylcarbamate;tert-Butylmethyl(3-nitrophenyl)carbamate;SCHEMBL3913255;methyl-(3-nitro-phenyl)-carbamic acid tert-butyl ester;DTXSID30468098;VILMFFGDPISPFQ-UHFFFAOYSA-N;AB8772;MFCD11111482;BS-28850;AM20080920;FT-0719242;EN300-6513011;A829295;TERT-BUTYL METHYL (3-NITROPHENYL)CARBAMATE;Carbamic acid, N-methyl-N-(3-nitrophenyl)-, 1,1-dimethylethyl ester

Chemical Property of Tert-butyl methyl(3-nitrophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 348.63oC at 760 mmHg
• Flash Point: 164.646oC
• PSA: 75.36000
• Density: 1.208g/cm3
• LogP: 3.48930
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.11100700
• Heavy Atom Count: 18
• Complexity: 319

Purity/Quality:

99% ^*data from raw suppliers

tert-Butylmethyl(3-nitrophenyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl methyl(3-nitrophenyl)carbamate

There total 5 articles about Tert-butyl methyl(3-nitrophenyl)carbamate 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: 100.0%

tert-butyl (3-nitrophenyl)carbamate (18437-64-4) + methyl iodide (74-88-4) → N-methyl-(3-nitrophenyl)carbamic acid tert-butyl ester (528882-15-7)

Guidance literature:

tert-butyl (3-nitrophenyl)carbamate; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 2h;

Reference yield: 98.0%

tert-butyl (3-nitrophenyl)carbamate (18437-64-4) + dimethyl sulfate (77-78-1) → N-methyl-(3-nitrophenyl)carbamic acid tert-butyl ester (528882-15-7)

Guidance literature:

tert-butyl (3-nitrophenyl)carbamate; With potassium tert-butylate; In tetrahydrofuran; at 0 - 10 ℃; for 2.5h; Inert atmosphere;

dimethyl sulfate; In tetrahydrofuran;

Reference yield: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + N-methyl-3-nitroaniline (619-26-1) → N-methyl-(3-nitrophenyl)carbamic acid tert-butyl ester (528882-15-7)

Guidance literature:

With 4-aminopyridine; In tetrahydrofuran; at 25 ℃; for 3h;

upstream raw materials:

tert-butyl (3-nitrophenyl)carbamate

methyl iodide

isocyanic acid (3-nitro-phenyl) ester

di-tert-butyl dicarbonate

Downstream raw materials:

{4-[(E)-2-(4-iodo-2-methoxypyridin-3-yl)vinyl]-3-nitrophenyl}methylcarbamic acid tert-butyl ester

methyl(3-nitro-4-trimethylsilanylmethylphenyl)carbamic acid tert-butyl ester

5-((4-((3-aminophenyl)amino)-5-fluoropyrimidin-2-yl)amino)-2-(2-methoxyethoxyl)phenol

tert-butyl (3-((5-fluoro-2-((3-hydroxy-4-(2-methoxyethoxyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)carbamate

Refernces

• 1、 Mehndiratta, Samir,Lin, Mei-Hsiang,Wu, Yi-Wen,Chen, Chun-Han,Wu, Tung-Yun,Chuang, Kuo-Hsiang,Chao, Min-Wu,Chen, Yi-Ying,Pan, Shiow-Lin,Chen, Mei-Chuan,Liou, Jing-Ping. "N-alkyl-hydroxybenzoyl anilide hydroxamates as dual inhibitors of HDAC and HSP90, downregulating IFN-γ induced PD-L1 expression". . . Retrieved 2019/10/28.
• 2、 -. "BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS". Page/Page column 59; 64. . Retrieved 2016/03/26.