Propylamine, 3-(o-methoxyphenyl)-, hydrochloride

Base Information

• Chemical Name: Propylamine, 3-(o-methoxyphenyl)-, hydrochloride
• CAS No.: 100131-86-0
• Molecular Formula: C10H15 N O . Cl H
• Molecular Weight: 201.6931
• DSSTox Substance ID: DTXSID20142971
• Mol file: 100131-86-0.mol

Synonyms:3-(2-Methoxyphenyl)propylamine hydrochloride;100131-86-0;Propylamine, 3-(o-methoxyphenyl)-, hydrochloride;Benzenepropanamine, 2-methoxy-, hydrochloride;3-(2-methoxyphenyl)propan-1-amine hydrochloride;SCHEMBL1026023;DTXSID20142971;DMQHXHWSBBKSRW-UHFFFAOYSA-N;LS-125709;3-(methoxy-phenyl)-propylamine hydrochloride;EN300-8226226

Chemical Property of Propylamine, 3-(o-methoxyphenyl)-, hydrochloride

Chemical Property:

• Vapor Pressure: 0.0174mmHg at 25°C
• Boiling Point: 254.3°Cat760mmHg
• Flash Point: 104.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 201.0920418
• Heavy Atom Count: 13
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CCCN.Cl

Technology Process of Propylamine, 3-(o-methoxyphenyl)-, hydrochloride

There total 6 articles about Propylamine, 3-(o-methoxyphenyl)-, 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: 64.0%

(E)-3-(2-methoxyphenyl)propenenitrile (57103-26-1) → 1-(3-aminopropyl)-2-methoxybenzene hydrochloride (100131-86-0)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 48h;

DOI:10.1021/jm00396a008

Reference yield: 39.0%

1-(3-azidopropyl)-2-methoxybenzene → 1-(3-aminopropyl)-2-methoxybenzene hydrochloride (100131-86-0)

Guidance literature:

1-(3-azidopropyl)-2-methoxybenzene; With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 20 ℃; for 18h;

With hydrogenchloride; In 1,4-dioxane; isopropyl alcohol;

DOI:10.1021/acs.jmedchem.9b00595

Reference yield:

ortho-anisaldehyde (135-02-4) → 1-(3-aminopropyl)-2-methoxybenzene hydrochloride (100131-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / tetrabutylammonium iodide, aq. NaOH / CH₂Cl₂ / 0.25 h / below 35 deg C

2: 64 percent / H₂, HCl / Pd/C / ethanol / 48 h

With hydrogenchloride; sodium hydroxide; hydrogen; tetra-(n-butyl)ammonium iodide; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jm00396a008

upstream raw materials:

(E)-3-(2-methoxyphenyl)propenenitrile

ortho-anisaldehyde

2-methoxy-benzenepropanoic acid

3-(2-methoxyphenyl)propan-1-ol