N-Nitrodibutylamine

Base Information

• Chemical Name: N-Nitrodibutylamine
• CAS No.: 4164-31-2
• Molecular Formula: C8H18N2O2
• Molecular Weight: 174.243
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID20194455
• Wikidata: Q83067201
• Mol file: 4164-31-2.mol

Synonyms:N-nitrodibutylamine

Chemical Property of N-Nitrodibutylamine

Chemical Property:

• Vapor Pressure: 0.00734mmHg at 25°C
• Boiling Point: 278.1°Cat760mmHg
• Flash Point: 122°C
• PSA: 49.06000
• Density: 0.964g/cm³
• LogP: 2.60350
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 174.136827821
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

N-NITRODIBUTYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN(CCCC)[N+](=O)[O-]

Technology Process of N-Nitrodibutylamine

There total 7 articles about N-Nitrodibutylamine 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: 41.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + dibutylamine (111-92-2) → N-nitrosodibutylamine (924-16-3) + N-nitrodibutylamine (4164-31-2)

Guidance literature:

formaldehyd; dibutylamine; at 20 - 65 ℃; for 13h;

With nitric acid; methylamine hydrochloride; at 0 - 25 ℃; for 1h; Reagent/catalyst;

DOI:10.1002/poc.3958

Reference yield:

N-nitrosodibutylamine (924-16-3) → N-butylacetamide (1119-49-9) + N-nitrodibutylamine (4164-31-2) + N-nitroso-N-(2-oxobutyl)butylamine (61734-90-5,74778-69-1,74778-88-4)

Guidance literature:

With oxygen; In acetonitrile; Product distribution; Mechanism; electrolysis, Bu₄NClO₄, glassy carbon electrode; investigations between var. conditions with var. nitrosamines;

Reference yield:

dibutylammonium nitrate → N-nitrosodibutylamine (924-16-3) + N-nitrodibutylamine (4164-31-2)

Guidance literature:

With nitric acid; acetic anhydride; zinc(II) chloride; In carbon dioxide; at 20 ℃; for 24h; under 45004.5 - 60006 Torr; Autoclave;

DOI:10.1007/s11172-009-0282-1

upstream raw materials:

dibutylamine hydrochloride

dibutylamine

N-nitrosodibutylamine

nitric acid

Downstream raw materials:

N-nitrosodibutylamine

Refernces

• 1、 Zhang, Yu,Chi, Guoli,He, Ying,Xu, Zishuai,Zhang, Luyao,Luo, Jun,Zhou, Baojing. "In situ generated amine as a Lewis base catalyst in the reaction of 3,7-dinitro-1,3,5,7-tetraazabicyclo[3.3.1]nonane in nitric acid: Experimental and DFT study". supporting information. . Retrieved 2019/04/08.
• 2、 Masui, Masaichiro,Nose, Koichi,Tanaka, Aiko,Yamakawa, Eiko,Ohmori, Hidenobu. "ELECTROCHEMICAL TRANSFORMATION OF N-NITROSODIALKYLAMINES INTO N-NITRAMINES AND β-KETONITROSAMINES". . p. 3758 - 3760. Retrieved 2007/10/02.