N-methyl-n-benzylnitrosamine

Base Information

• Chemical Name: N-methyl-n-benzylnitrosamine
• CAS No.: 937-40-6
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2928000090
• European Community (EC) Number: 857-118-8
• UNII: H81CGI9K6Z
• DSSTox Substance ID: DTXSID3041081
• Nikkaji Number: J3.351K
• Wikidata: Q81984149
• ChEMBL ID: CHEMBL106823
• Mol file: 937-40-6.mol

Synonyms:methylbenzylnitrosamine;N-methyl-N-nitrosobenzylamine;N-nitrosomethylbenzylamine;nitrosobenzylmethylamine;NMBzA

Chemical Property of N-methyl-n-benzylnitrosamine

Chemical Property:

• Vapor Pressure: 0.00229mmHg at 25°C
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 298.2°Cat760mmHg
• PKA: -4.77±0.70(Predicted)
• Flash Point: 134.1°C
• PSA: 32.67000
• Density: 1.03g/cm³
• LogP: 1.79980
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: 4.505g/L(24 oC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

N-Nitroso-N-methylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CN(CC1=CC=CC=C1)N=O
• Uses: N-Nitroso-N-methylbenzylamine induced neoplasia in mice. Mice treated intragastrically with N-Nitroso-N-methylbenzylamine developed multiple tumours. Mice carrying one inactivated Fhit allele (Fhit +?/- mice) are highly susceptible to tumor induction by N-?nitrosomethylbenzylamine.

Technology Process of N-methyl-n-benzylnitrosamine

There total 18 articles about N-methyl-n-benzylnitrosamine 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: 88.0%

N-benzyl-N-cyclopropyl-N-methylamine (91245-57-7) → Benzylmethylnitrosamin (937-40-6)

Guidance literature:

With sodium nitrite; In water; acetic acid; at 20 ℃;

DOI:10.1021/jo991104z

Reference yield: 87.0%

N,N'-dimethylbenzylamine (103-83-3) → Benzylmethylnitrosamin (937-40-6)

Guidance literature:

With hydrogenchloride; dinitrogen tetraoxide; In acetic anhydride; at 25 ℃; for 14h;

Reference yield: 33.0%

N-methyldibenzylamine (102-05-6) → Benzylmethylnitrosamin (937-40-6) + benzaldehyde (100-52-7)

Guidance literature:

With hydrogenchloride; nitric acid; acetic anhydride; at 25 ℃; for 16h;

upstream raw materials:

tetranitromethane

N-methyldibenzylamine

N,N'-dimethylbenzylamine

3-Benzyl-3-methyl-1-(4-tolyl)-1-nitrosourea

Downstream raw materials:

N-Methyl-N-nitrobenzylamine

benzyl-methyl-amine

N-Benzylidenemethylamine

2-Hydroxy-thiobenzoesaeure-(N²-methyl-N²-benzyl-hydrazid)

Refernces

• 1、 Garcia-Rio, Luis,Hervella, Pablo. "Kinetic model for reactivity in quaternary water-in-oil microemulsions". . p. 8284 - 8295. Retrieved 2007/10/03.
• 2、 Masuda, Mitsuharu,Mower, Howard F.,Pignatelli, Brigitte,Celan, Irena,Friesen, Marlin D.,Nishino, Hoyoku,Ohshima, Hiroshi. "Formation of N-nitrosamines and N-nitramines by the reaction of secondary amines peroxynitrite and other reactive nitrogen species: Comparison with nitrotyrosine formation". . p. 301 - 308. Retrieved 2007/10/03.