Phenethylamine, N-methyl-, hydrochloride

Base Information

• Chemical Name: Phenethylamine, N-methyl-, hydrochloride
• CAS No.: 4104-43-2
• Molecular Formula: C9H13N
• Molecular Weight: 171.67
• Hs Code.: 2921499090
• NSC Number: 15131
• UNII: K5T46442PR
• DSSTox Substance ID: DTXSID40194013
• Mol file: 4104-43-2.mol

Synonyms:N-methyl-2-phenylethanamine;N-methyl-beta-phenethylamine;N-methylphenethylamine;N-methylphenethylamine hydrochloride;N-methylphenethylamine sodium;N-methylphenethylamine, conjugate acid;N-methylphenylethylamine

Chemical Property of Phenethylamine, N-methyl-, hydrochloride

Chemical Property:

• Boiling Point: 201.7 °C at 760mmHg
• Flash Point: 73.9 °C
• PSA: 12.03000
• LogP: 2.64140
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 171.0814771
• Heavy Atom Count: 11
• Complexity: 74.8

Purity/Quality:

99.5% ^*data from raw suppliers

methyl(2-phenylethyl)aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCCC1=CC=CC=C1.Cl

Technology Process of Phenethylamine, N-methyl-, hydrochloride

There total 3 articles about Phenethylamine, N-methyl-, hydrochloride 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:

(4-methoxy-benzyl)-methyl-phenethyl-amine (302910-90-3) → methylphenethylamine hydrochloride (4104-43-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; dichloromethane;

DOI:10.1016/j.tetlet.2006.05.038

Reference yield:

N-(4-methoxybenzyl)-2-phenylethan-1-amine (3241-00-7) → methylphenethylamine hydrochloride (4104-43-2)

Guidance literature:

Multi-step reaction with 2 steps

1: DIAD; polymer-bound triphenylphosphine / tetrahydrofuran

2: HCl / CH₂Cl₂; diethyl ether

With hydrogenchloride; di-isopropyl azodicarboxylate; polymer-bound triphenylphosphine; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1016/j.tetlet.2006.05.038

Reference yield:

→ methylphenethylamine hydrochloride (4104-43-2)

Guidance literature:

upstream raw materials:

(4-methoxy-benzyl)-methyl-phenethyl-amine

N-(4-methoxybenzyl)-2-phenylethan-1-amine

Downstream raw materials:

N-methyl-N-phenethyl-2-phenylacetamide

(2S,3R)-3-Benzyl-5,5-dimethyl-2-[(methyl-phenethyl-amino)-methyl]-cyclohexanone

N,N-dimethylphenethylamine

Refernces