(2-Propoxyphenyl)methanamine

Base Information

• Chemical Name: (2-Propoxyphenyl)methanamine
• CAS No.: 37806-31-8
• Molecular Formula: C10H15NO
• Molecular Weight: 165.23
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID80588634
• Wikidata: Q82481429
• Mol file: 37806-31-8.mol

Synonyms:(2-propoxyphenyl)methanamine;37806-31-8;2-PROPOXYBENZYLAMINE;(2-propoxybenzyl)amine;1-(2-Propoxyphenyl)methanamine;(2-Propoxy)benzylamine;2-propoxyphenylmethanamine;SCHEMBL2911943;DTXSID80588634;MFCD06212925;AKOS000149096;MCULE-9467130781;SB75878;BS-37557;CS-0316047;F79995

Chemical Property of (2-Propoxyphenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.0174mmHg at 25°C
• Boiling Point: 254.3°C at 760 mmHg
• PKA: 9.17±0.10(Predicted)
• Flash Point: 104.2°C
• PSA: 35.25000
• Density: 0.992g/cm³
• LogP: 2.63440
• XLogP3: 1.6
• 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

(2-propoxybenzyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=CC=C1CN

Technology Process of (2-Propoxyphenyl)methanamine

There total 3 articles about (2-Propoxyphenyl)methanamine 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: 77.0%

C10H13NO2 (154238-43-4) → (2-propoxyphenyl)methanamine (37806-31-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 4h; Reflux;

DOI:10.1134/S1070428010070110

Reference yield: 67.0%

2-propoxybenzonitrile (6609-58-1) → (2-propoxyphenyl)methanamine (37806-31-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 25 ℃; for 12h;

DOI:10.1021/acs.jmedchem.6b00085

Reference yield:

salicylonitrile (611-20-1) → (2-propoxyphenyl)methanamine (37806-31-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 12 h / 0 - 25 °C

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b00085

upstream raw materials:

C₁₀H₁₃NO₂

salicylonitrile

2-propoxybenzonitrile