2,4,5-Trimethoxyphenethylamine

Base Information

• Chemical Name: 2,4,5-Trimethoxyphenethylamine
• CAS No.: 15394-83-9
• Molecular Formula: C11H17NO3
• Molecular Weight: 211.261
• Hs Code.: 2922299090
• UNII: S27QYQ708U
• DSSTox Substance ID: DTXSID30165499
• Nikkaji Number: J273.441I
• Wikipedia: 2,4,5-Trimethoxyphenethylamine
• Wikidata: Q4633045
• ChEMBL ID: CHEMBL354924
• Mol file: 15394-83-9.mol

Synonyms:2,4,5-trimethoxyphenethylamine;2,4,5-trimethoxyphenethylamine hydrochloride;2,4,5-trimethoxyphenethylamine sulfate (2:1)

Chemical Property of 2,4,5-Trimethoxyphenethylamine

Chemical Property:

• Vapor Pressure: 0.000317mmHg at 25°C
• Melting Point: 66-68 °C
• Refractive Index: 1.511
• Boiling Point: 320.48 °C at 760 mmHg
• PKA: 9.50±0.10(Predicted)
• Flash Point: 152.727 °C
• PSA: 53.71000
• Density: 1.067 g/cm³
• LogP: 1.91390
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 211.12084340
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trimethoxyphenylethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1CCN)OC)OC

Technology Process of 2,4,5-Trimethoxyphenethylamine

There total 11 articles about 2,4,5-Trimethoxyphenethylamine 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: 52.0%

1-(2,4,5-trimethoxyphenyl)-2-nitroethene (86255-45-0,24160-51-8) → 1-(2,4,5-trimethoxyphenyl)-2-aminoethane (15394-83-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1021/jm00370a014

Reference yield:

asaraldehyde (4460-86-0,14374-62-0) → 1-(2,4,5-trimethoxyphenyl)-2-aminoethane (15394-83-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; aqueous methanol. KOH / 5 °C

2: aq.-ethanolic hydrochloric acid / Reduktion an Blei-Kathoden

With hydrogenchloride; potassium hydroxide; ethanol;

DOI:10.1134/1.1333867

Reference yield:

2,4,5-trimethoxybenzeneacetonitrile (38444-50-7) → 1-(2,4,5-trimethoxyphenyl)-2-aminoethane (15394-83-9)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/0040-4020(73)80127-9

upstream raw materials:

1-(2,4,5-trimethoxyphenyl)-2-nitroethene

(+/-)-3-<2,4,5-Trimethoxy-phenyl>-alanin

3-(2,4,5-trimethoxy-phenyl)-propionic acid amide

(2,4,5-trimethoxy-phenethyl)-carbamic acid ethyl ester

Downstream raw materials:

1-(2,4,5-trimethoxyphenyl)-2-<(tert-butoxycarbonyl)amino>ethane

1-(2,5-dihydroxy-4-methoxyphenyl)-2-<(tert-butoxycarbonyl)amino>ethane

2-methoxy-5-<2-<(tert-butoxycarbonyl)amino>ethyl>-p-quinone

2-(2-amino-ethyl)-5-methoxy-hydroquinone

Refernces