1-Phenyl-3-methylaminobutane

Base Information

• Chemical Name: 1-Phenyl-3-methylaminobutane
• CAS No.: 63957-19-7
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• UNII: 85S7BKR2CC
• DSSTox Substance ID: DTXSID50981350
• Nikkaji Number: J113.472H
• Mol file: 63957-19-7.mol

Synonyms:1-Phenyl-3-methylaminobutane;63957-19-7;n-methyl-4-phenylbutan-2-amine;1-Phenyl-3-methylamino-butan;Homomethamphetamine;N-Methyl-1-phenyl-3-butanamine;85S7BKR2CC;METHYL(4-PHENYLBUTAN-2-YL)AMINE;N,.alpha.-Dimethylbenzenepropanamine;BRN 2936211;1-Phenyl-3-methylamino-butan [German];methamphbutamine;Propylamine, N,alpha-dimethyl-gamma-phenyl-;Benzenepropanamine, N,.alpha.-dimethyl-;UNII-85S7BKR2CC;SCHEMBL178505;DTXSID50981350;N-Methyl-4-phenyl-2-butanamine #;N,.alpha.-Dimethylbenzenepropaneamine;AKOS000146269;N-methyl-1-methyl-3-phenylpropylamine;EN300-33209;Propylamine, N,.alpha.-dimethyl-.gamma.-phenyl-

Chemical Property of 1-Phenyl-3-methylaminobutane

Chemical Property:

• Vapor Pressure: 0.0381mmHg at 25°C
• Refractive Index: 1.5
• Boiling Point: 240.4°C at 760 mmHg
• Flash Point: 100.1°C
• PSA: 12.03000
• Density: 0.902g/cm³
• LogP: 2.61800
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)NC

Technology Process of 1-Phenyl-3-methylaminobutane

There total 7 articles about 1-Phenyl-3-methylaminobutane 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: 71.0%

4-Phenyl-2-butanone (2550-26-7) + methylamine (74-89-5) + benzylamine borane → N-methyl-(1-methyl-3-phenylpropyl)amine (63957-19-7) + N-benzyl-1-methyl-3-phenylpropylamine (68164-04-5)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1081/SCC-120002129

Reference yield:

1,3-dimethyl-2-(1-methyl-3-phenylpropylimino)imidazolidine (592489-27-5) → N-methyl-(1-methyl-3-phenylpropyl)amine (63957-19-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1246/bcsj.76.1063

Reference yield:

N-methyl-(1-methyl-3-phenylpropylidene)amine (29666-60-2) → N-methyl-(1-methyl-3-phenylpropyl)amine (63957-19-7)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201504052

upstream raw materials:

2-bromo-4-phenylbutane

methyl-(1-methyl-3-phenyl-propyl)-carbamonitrile

hydrogenchloride

4-Phenyl-2-butanone

Downstream raw materials:

4-Phenyl-2-butanone