Phenethylamine, N-methyl-N-nitroso-

Base Information

• Chemical Name: Phenethylamine, N-methyl-N-nitroso-
• CAS No.: 13256-11-6
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• European Community (EC) Number: 851-912-8
• UNII: DYK7894FDF
• DSSTox Substance ID: DTXSID9021003
• Nikkaji Number: J34.549K
• Wikidata: Q81983678
• ChEMBL ID: CHEMBL349620
• Mol file: 13256-11-6.mol

Synonyms:nitrosomethyl-(2-phenylethyl)amine

Chemical Property of Phenethylamine, N-methyl-N-nitroso-

Chemical Property:

• Vapor Pressure: 0.00092mmHg at 25°C
• Refractive Index: 1.5373 (estimate)
• Boiling Point: 313.3°Cat760mmHg
• Flash Point: 143.3°C
• PSA: 32.67000
• Density: 1.02g/cm³
• LogP: 1.84230
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC1=CC=CC=C1)N=O

Technology Process of Phenethylamine, N-methyl-N-nitroso-

There total 7 articles about Phenethylamine, N-methyl-N-nitroso- 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: 98.0%

N-nitrosomethyl-N-(1-n-benzyl)-2-oxopropylamine → N-methyl-N-nitrosophenethylamine (13256-11-6)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield: 93.0%

N-Methyl-N-phenethylamine (589-08-2) → N-methyl-N-nitrosophenethylamine (13256-11-6)

Guidance literature:

N-Methyl-N-phenethylamine; With hydrogenchloride; In water; at 0 ℃;

With 1-(4-(nitrosooxy)butyl)-3-methylimidazolium chloride; at 0 - 25 ℃; for 1.16667h;

DOI:10.1007/s00706-011-0574-7

Reference yield: 84.0%

N,N-dimethylphenethylamine (1126-71-2) → N-methyl-N-nitrosophenethylamine (13256-11-6)

Guidance literature:

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

upstream raw materials:

N-Nitrosodimethylamine

benzyl bromide

methylvinylnitrosamine

phenyllithium

Downstream raw materials:

N-Methyl-N-nitro-β-phenethylamine

1-methyl-1-(2-phenylethyl)hydrazine hydrochloride

N-Methyl-N-phenethylamine

Refernces

• 1、 Valizadeh, Hassan,Gholipour, Hamid,Shomali, Ashkan. "Ionic liquid 1-(4-nitritobutyl)-3-methylimidazolium chloride as a new reagent for the efficient N-nitrosation of secondary amines under mild conditions". experimental part. p. 467 - 470. Retrieved 2012/06/15.
• 2、 Nurminen, Elisa M.,Pihlavisto, Marjo,Lázár, László,Szakonyi, Zsolt,Pentik?inen, Ulla,Fül?p, Ferenc,Pentik?inen, Olli T.. "Synthesis, in vitro activity, and three-dimensional quantitative Structure-activity relationship of novel hydrazine inhibitors of human vascular adhesion protein-1". experimental part. p. 6301 - 6315. Retrieved 2010/10/20.