3-Methoxyphenethylamine HCl

Base Information

• Chemical Name: 3-Methoxyphenethylamine HCl
• CAS No.: 2039-54-5
• Molecular Formula: C9H13 N O . Cl H
• Molecular Weight: 187.669
• Hs Code.: 2922299090
• European Community (EC) Number: 218-015-8
• NSC Number: 99904
• UNII: 392QJK5B0N
• DSSTox Substance ID: DTXSID90174325
• Wikidata: Q27256849
• Mol file: 2039-54-5.mol

Synonyms:2039-54-5;3-Methoxyphenethylamine HCl;2-(3-methoxyphenyl)ethanamine hydrochloride;3-Methoxyphenylethylamine HCl;3-Methoxyphenethylamine hydrochloride;m-Methoxyphenethylamine hydrochloride;3-Methoxyphenylethylamine hydrochloride;Phenethylamine, m-methoxy-, hydrochloride;EINECS 218-015-8;NSC 99904;3-Methoxybenzeneethanamine hydrochloride;UNII-392QJK5B0N;2-(3-methoxyphenyl)ethanamine;hydrochloride;392QJK5B0N;Benzeneethanamine, 3-methoxy-, hydrochloride;NSC-99904;2-(3-methoxyphenyl)ethylamine hydrochloride;SCHEMBL10917318;DTXSID90174325;2-(3-Methoxyphenyl)ethanamine HCl;NSC99904;MFCD00230680;BS-21886;LS-103569;2-(3-Methoxy-phenyl)-ethylamine hydrochloride;A879650;Benzeneethanamine, 3-methoxy-, hydrochloride (1:1);Q27256849

Chemical Property of 3-Methoxyphenethylamine HCl

Chemical Property:

• Vapor Pressure: 0.0108mmHg at 25°C
• Boiling Point: 262.7°Cat760mmHg
• Flash Point: 104.9°C
• PSA: 35.25000
• Density: 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-(3-Methoxyphenyl)ethanaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CCN.Cl

Technology Process of 3-Methoxyphenethylamine HCl

There total 4 articles about 3-Methoxyphenethylamine HCl 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: 95.0%

1-(2-azidoethyl)-3-methoxybenzene (1213255-94-7) → 2-(meta-methoxyphenyl)-ethylamine hydrochloride (2039-54-5)

Guidance literature:

1-(2-azidoethyl)-3-methoxybenzene; With triphenylphosphine; at 110 ℃; for 20h; Green chemistry;

With hydrogenchloride; In 1,4-dioxane; diethyl ether; Green chemistry;

DOI:10.1039/c8gc02136h

Reference yield:

3-methoxyphenylacetonitrile (19924-43-7) + dimethyl sulfide borane (13292-87-0) → 2-(meta-methoxyphenyl)-ethylamine hydrochloride (2039-54-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; ethanol; water;

Reference yield:

(E)-1-tert-butyl-N-(3-methoxystyryl)-1,1-dimethylsilanamine → ClH*C18H23NO2 + 2-(meta-methoxyphenyl)-ethylamine hydrochloride (2039-54-5)

Guidance literature:

(E)-1-tert-butyl-N-(3-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

upstream raw materials:

3-methoxyphenylacetonitrile

dimethyl sulfide borane

1-(2-azidoethyl)-3-methoxybenzene

3-methoxyphenethyl bromide

Downstream raw materials:

3-(2-(pyrrolidin-1-yl)ethyl)phenol

C₁₇H₁₈BrNO₃

6-<(2-exo/endo,3-exo)-3-<<2-(3-Methoxyphenyl)ethyl>carbamoyl>bicyclo<2.2.1>hept-2-yl>hexansaeure

N-<2-<3-(2-quinolinylmethoxy)phenyl>ethyl>trifluoromethanesulfonamide

Refernces

• 1、 Lenstra, Danny C.,Lenting, Peter E.,Mecinovi?, Jasmin. "Sustainable organophosphorus-catalysed Staudinger reduction". supporting information. p. 4418 - 4422. Retrieved 2018/10/17.