(2,6-Dinitrophenyl)methyl cyclohexylcarbamate

Base Information

• Chemical Name: (2,6-Dinitrophenyl)methyl cyclohexylcarbamate
• CAS No.: 133795-09-2
• Molecular Formula: C14H17N3O6
• Molecular Weight: 323.305
• DSSTox Substance ID: DTXSID00596135
• Wikidata: Q82491288
• Mol file: 133795-09-2.mol

Synonyms:133795-09-2;(2,6-Dinitrophenyl)methyl cyclohexylcarbamate;SCHEMBL910068;DTXSID00596135

Chemical Property of (2,6-Dinitrophenyl)methyl cyclohexylcarbamate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 323.11173527
• Heavy Atom Count: 23
• Complexity: 419

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Technology Process of (2,6-Dinitrophenyl)methyl cyclohexylcarbamate

There total 1 articles about (2,6-Dinitrophenyl)methyl cyclohexylcarbamate 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:

2,6-dinitrobenzyl alcohol (96839-34-8) + Cyclohexyl isocyanate (3173-53-3) → <<(2,6-dinitrobenzyl)oxy>carbonyl>cyclohexylamine (133795-09-2)

Guidance literature:

With methyllithium; Yield given. Multistep reaction; 1.) THF, ether, RT, 4 h, 2.) THF, reflux, 12 h;

DOI:10.1021/ja00011a038

Reference yield:

<<(2,6-dinitrobenzyl)oxy>carbonyl>cyclohexylamine (133795-09-2) → carbon dioxide (124-38-9,18923-20-1) + 2-Nitro-6-nitroso-benzaldehyde (119137-06-3) + cyclohexylamine (108-91-8,157973-60-9)

Guidance literature:

Quantum yield; Irradiation;

DOI:10.1021/ja00011a038

upstream raw materials:

2,6-dinitrobenzyl alcohol

Cyclohexyl isocyanate

Downstream raw materials:

carbon dioxide

2-Nitro-6-nitroso-benzaldehyde

cyclohexylamine