2-(4-Methoxy-3-methylphenyl)ethylamine

Base Information

• Chemical Name: 2-(4-Methoxy-3-methylphenyl)ethylamine
• CAS No.: 18149-08-1
• Molecular Formula: C9H12ClNO
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• European Community (EC) Number: 886-801-3
• DSSTox Substance ID: DTXSID70424471
• Wikidata: Q82237063
• Mol file: 18149-08-1.mol

Synonyms:18149-08-1;2-(4-Methoxy-3-methyl-phenyl)-ethylamine;2-(4-Methoxy-3-methylphenyl)ethylamine;2-(4-methoxy-3-methylphenyl)ethanamine;Benzeneethanamine, 4-methoxy-3-methyl-;SCHEMBL1467270;DTXSID70424471;NBFFCNUWKJZAKU-UHFFFAOYSA-N;3-methyl-4-methoxyphenylethylamine;AKOS000301663;2-(3-methyl-4-methoxyphenyl)ethylamine;2-(4-methoxy-3-methylphenyl)ethan-1-amine;FT-0645273;EN300-1852517

Chemical Property of 2-(4-Methoxy-3-methylphenyl)ethylamine

Chemical Property:

• Vapor Pressure: 0.00425mmHg at 25°C
• Boiling Point: 278.5°C at 760 mmHg
• PKA: 9.97±0.10(Predicted)
• Flash Point: 122.2°C
• PSA: 35.25000
• Density: 1.146g/cm³
• LogP: 2.20510
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Methoxy-3-methyl-phenyl)-ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)CCN)OC

Technology Process of 2-(4-Methoxy-3-methylphenyl)ethylamine

There total 4 articles about 2-(4-Methoxy-3-methylphenyl)ethylamine 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: 81.0%

2-methyl-4-(trans-2-nitro-vinyl)-anisole (62993-57-1) → 2-(4-methoxy-3-methylphenyl)ethylamine (18149-08-1)

Guidance literature:

2-methyl-4-(trans-2-nitro-vinyl)-anisole; With borane; In tetrahydrofuran; at 90 ℃; for 14.3333h;

With water; In tetrahydrofuran; for 0.5h;

With hydrogenchloride; water; In tetrahydrofuran; for 5h; pH=2;

Reference yield:

2-(4-methoxy-3-methylphenyl)acetonitrile (75391-57-0) → 2-(4-methoxy-3-methylphenyl)ethylamine (18149-08-1)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/jm00335a038

Reference yield:

3-methyl-4-anisaldehyde (32723-67-4) → 2-(4-methoxy-3-methylphenyl)ethylamine (18149-08-1)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol. NaOH

2: LiAlH₄

With sodium hydroxide; lithium aluminium tetrahydride;

upstream raw materials:

2-methyl-4-(trans-2-nitro-vinyl)-anisole

2-(4-methoxy-3-methylphenyl)acetonitrile

3-methyl-4-anisaldehyde

Downstream raw materials:

1-[2-(4-Methoxy-3-methyl-phenyl)-ethyl]-2-thioxo-tetrahydro-pyrimidin-4-one

1-[2-(4-Methoxy-3-methyl-phenyl)-ethyl]-dihydro-pyrimidine-2,4-dione

Refernces

• 1、 -. "1-Phenyl-3-benzazepine compounds and medicaments containing these compounds for treating gastrointestinal motility disorders". . . Retrieved 2008/06/13.