3-(3-Methoxyphenyl)propan-1-amine

Base Information

• Chemical Name: 3-(3-Methoxyphenyl)propan-1-amine
• CAS No.: 18655-52-2
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID20388690
• Wikidata: Q82183815
• Mol file: 18655-52-2.mol

Synonyms:3-(3-methoxyphenyl)propan-1-amine;18655-52-2;3-(3-Methoxy-phenyl)-propylamine;3-(3-methoxyphenyl)propylamine;3-(3-METHOXYPHENYL)-1-PROPANAMINE;3-METHOXY-BENZENEPROPANAMINE;MFCD00870509;Benzenepropanamine, 3-methoxy-;SCHEMBL895673;DTXSID20388690;CMIXSQAFEPGHMA-UHFFFAOYSA-N;STK661959;AKOS000302349;AB07601;VS-0145;AS-82563;BB 0237261;CS-0433329;C78001;EN300-145852;3-(3-Methoxyphenyl)-1-propanamine, AldrichCPR

Chemical Property of 3-(3-Methoxyphenyl)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.00905mmHg at 25°C
• Refractive Index: 1.52
• Boiling Point: 265.6°C at 760 mmHg
• Flash Point: 113.5°C
• PSA: 35.25000
• Density: 0.992g/cm³
• LogP: 2.28680
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-methoxyphenyl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CCCN

Technology Process of 3-(3-Methoxyphenyl)propan-1-amine

There total 6 articles about 3-(3-Methoxyphenyl)propan-1-amine 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: 90.0%

3-(3-methoxyphenyl)propionamide (57854-49-6) → 3-(3-methoxyphenyl)propan-1-amine (18655-52-2)

Guidance literature:

3-(3-methoxyphenyl)propionamide; With borane-THF; In tetrahydrofuran; for 4h; Reflux;

With methanol; In tetrahydrofuran; for 0.5h; Reflux;

Reference yield: 85.0%

1′-(3-methoxyphenyl)acrylonitrile (28446-69-7) → 3-(3-methoxyphenyl)propan-1-amine (18655-52-2)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; water; for 72h; under 3620.13 Torr;

DOI:10.1021/acs.orglett.6b01674

Reference yield: 59.0%

→ 3-(3-methoxyphenyl)propan-1-amine (18655-52-2)

Guidance literature:

upstream raw materials:

1′-(3-methoxyphenyl)acrylonitrile

3-(3-Methoxy-phenyl)-propionic acid

3-(3-methoxyphenyl)propionamide

3-methoxy-benzaldehyde

Downstream raw materials:

2-(2-Hydroxyethyl)-N-<3-(3-methoxyphenyl)propyl>benzamid

2-(2-Hydroxyethyl)-4,5-dimethoxy-N-<3-(3-methoxyphenyl)propyl>benzamid

N-<3-(3-Methoxyphenyl)propyl>benzamid

3,4-Dimethoxy-N-<3-(3-methoxyphenyl)propyl>benzamid