1-(3,4-Dimethoxyphenyl)propan-1-amine

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)propan-1-amine
• CAS No.: 101589-21-3
• Molecular Formula: C₁₁H₁₇NO₂
• Molecular Weight: 195.261
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID60588051
• Mol file: 101589-21-3.mol

Synonyms:1-(3,4-dimethoxyphenyl)propan-1-amine;101589-21-3;1-(3,4-dimethoxyphenyl)-1-propanamine;MFCD09042084;[1-(3,4-Dimethoxyphenyl)propyl]amine;1-(3,4-dimethoxyphenyl)-1-propanamine x1HCl;SCHEMBL14032377;DTXSID60588051;STK873756;AKOS000124074;AKOS017258819;MCULE-9873947716;SY198381;DB-225599;Benzenemethanamine, |A-ethyl-3,4-dimethoxy-;CS-0214955;Benzenemethanamine, alpha-ethyl-3,4-dimethoxy-;EN300-207318;N11086;Z228582782

Chemical Property of 1-(3,4-Dimethoxyphenyl)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 288.926°C at 760 mmHg
• Flash Point: 139.781°C
• PSA: 44.48000
• Density: 1.021g/cm³
• LogP: 2.81390
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 195.125928785
• Heavy Atom Count: 14
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

[1-(3,4-Dimethoxyphenyl)propyl]amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC(=C(C=C1)OC)OC)N

Technology Process of 1-(3,4-Dimethoxyphenyl)propan-1-amine

There total 4 articles about 1-(3,4-Dimethoxyphenyl)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:

1-(3,4-dimethoxy-phenyl)-propan-1-one oxime → 1-(3,4-dimethoxy-phenyl)-propylamine (101589-21-3,827004-73-9)

Guidance literature:

With thiophene; ammonia; hydrogen; RaNi; In methanol;

DOI:10.1016/j.bmcl.2004.11.064

Reference yield:

ethyl 3,4-dimethoxyphenyl ketone (1835-04-7) → 1-(3,4-dimethoxy-phenyl)-propylamine (101589-21-3,827004-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂OH*HCl; NaOAc / methanol / 18 h / 20 °C

2: H₂; thiophene; NH₃ / RaNi / methanol

With thiophene; hydroxylamine hydrochloride; ammonia; hydrogen; sodium acetate; RaNi; In methanol;

DOI:10.1016/j.bmcl.2004.11.064

Reference yield:

1-(3,4-dimethoxy-phenyl)-propan-1-one oxime (103565-49-7) → 1-(3,4-dimethoxy-phenyl)-propylamine (101589-21-3,827004-73-9)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

ethyl 3,4-dimethoxyphenyl ketone

ammonium formate

1-(3,4-dimethoxy-phenyl)-propan-1-one oxime

Downstream raw materials:

C₁₉H₁₉NO₅