2-Methoxyphenylethylamine Hydrochloride

Base Information

• Chemical Name: 2-Methoxyphenylethylamine Hydrochloride
• CAS No.: 3167-07-5
• Molecular Formula: C9H13NO
• Molecular Weight: 151.2056
• Hs Code.: 2922299090
• ChEMBL ID: CHEMBL539846
• DSSTox Substance ID: DTXSID60953629
• NSC Number: 93710
• Mol file: 3167-07-5.mol

Synonyms:2-Methoxyphenylethylamine Hydrochloride;3167-07-5;BenzeneethanaMine, 2-Methoxy-, (Hydrochloride);2-(2-methoxyphenyl)ethanamine;hydrochloride;2-(2-methoxyphenyl)ethan-1-amine hydrochloride;2-Methoxyphenethylamine hydrochloride;2-Methoxyphenethylamine HCl;2-(2-METHOXYPHENYL)ETHANAMINE HYDROCHLORIDE;CHEMBL539846;SCHEMBL11152248;DTXSID60953629;CS-M2046;NSC93710;2-METHOXYPHENYLETHYLAMINE HCL;MFCD25962222;NSC-93710;AKOS028113305;CS-13513;2-(2-Methoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)

Chemical Property of 2-Methoxyphenylethylamine Hydrochloride

Chemical Property:

• Boiling Point: 235 °C at 760 mmHg
• Flash Point: 95 °C
• PSA: 35.25000
• Density: 1.008 g/cm³
• LogP: 2.69870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.0763918
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

2-MethoxyphenylethylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CCN.Cl

Technology Process of 2-Methoxyphenylethylamine Hydrochloride

There total 3 articles about 2-Methoxyphenylethylamine 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: 85.0%

2-methoxy-benzeneacetonitrile (7035-03-2) → o-Methoxyphenylethylamine hydrochloride (3167-07-5)

Guidance literature:

2-methoxy-benzeneacetonitrile; With borane-ammonia complex; C₁₇H₁₆BrMnN₂O₃S; In hexane; at 60 ℃; for 12h;

With hydrogenchloride; In diethyl ether; water;

DOI:10.1021/acscatal.0c05406

Reference yield:

(E)-1-tert-butyl-N-(2-methoxystyryl)-1,1-dimethylsilanamine → o-Methoxyphenylethylamine hydrochloride (3167-07-5)

Guidance literature:

(E)-1-tert-butyl-N-(2-methoxystyryl)-1,1-dimethylsilanamine; With 2.5% wt Pd/C; hydrogen; In benzene-d6; at 20 ℃; for 40h; under 760.051 Torr;

With hydrogenchloride; In diethyl ether; benzene-d6; ethyl acetate;

DOI:10.1021/jacs.7b13783

Reference yield:

3-<(E)-<2-(2-methoxyphenyl)ethenyl>>-4,5-diphenyl-2(3H)oxazolone (148715-52-0) → o-Methoxyphenylethylamine hydrochloride (3167-07-5)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; Yield given. Multistep reaction; 1) EtOH, H₂O, HOAc, 50 deg C, 50 psi, 4h, 2) EtOH;

DOI:10.1021/jo00064a015

upstream raw materials:

3-<(E)-<2-(2-methoxyphenyl)ethenyl>>-4,5-diphenyl-2(3H)oxazolone

2-methoxy-benzeneacetonitrile