4-Nitrobenzyl carbamate

Base Information

• Chemical Name: 4-Nitrobenzyl carbamate
• CAS No.: 32339-07-4
• Molecular Formula: C₈H₈N₂O₄
• Molecular Weight: 196.163
• European Community (EC) Number: 845-580-3
• Mol file: 32339-07-4.mol

Synonyms:4-NITROBENZYL CARBAMATE;(4-nitrophenyl)methyl carbamate;32339-07-4;4-nitrobenzylcarbamate;p-nitrobenzyl carbamate;SCHEMBL1013;AKOS003395084;FS-7665;CS-0260179;EN300-7465089

Chemical Property of 4-Nitrobenzyl carbamate

Chemical Property:

• Boiling Point: 434.9±28.0 °C(Predicted)
• PKA: 13.07±0.50(Predicted)
• Density: 1.388±0.06 g/cm3(Predicted)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.04840674
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

4-Nitrobenzylcarbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)N)[N+](=O)[O-]

Technology Process of 4-Nitrobenzyl carbamate

There total 9 articles about 4-Nitrobenzyl 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: 87.0%

4-nitrobenzyl chloride (619-73-8) + urea (57-13-6) → 4-nitrobenzyl carbamate (32339-07-4)

Guidance literature:

With merrifield anchored iron(II)-anthra catalyst; In 1,4-dioxane; at 120 ℃; for 6.5h;

DOI:10.1039/c9nj05675k

Reference yield: 71.0%

4-nitrobenzyl chloride (619-73-8) + 1,1'-carbonyldiimidazole (530-62-1) → 4-nitrobenzyl carbamate (32339-07-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 29.5h; Inert atmosphere;

DOI:10.1039/c7cc07922b

Reference yield:

(2s)-(E,Z)-N-(2-amino-4-benzyloxy-5-methoxybenzoyl)-2-ethylidenepyrrolidine methanol + aq. CuSO4 + 4-nitrobenzyl chloroformate (4457-32-3) → 4-nitrobenzyl carbamate (32339-07-4)

Guidance literature:

With pyridine; In water; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

upstream raw materials:

4-nitrobenzyl chloroformate

N-Benzyloxycarbonyl-glycin-(4-nitro-benzylester)

O-benzyl carbamate

benzyloxycarbonyl isocyanate

Downstream raw materials:

4-nitrobenzyl chloride

(p-nitrophenyl)methanethiol