2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine

Base Information

• Chemical Name: 2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine
• CAS No.: 159277-08-4
• Molecular Formula: C11H14F3NO2
• Molecular Weight: 249.23000
• Hs Code.: 2922199090
• UNII: 16O4G6IKYL
• DSSTox Substance ID: DTXSID70439308
• Nikkaji Number: J627.877I
• Wikipedia: 2C-TFM
• Wikidata: Q3014225
• ChEMBL ID: CHEMBL136354
• Mol file: 159277-08-4.mol

Synonyms:159277-08-4;2,5-DIMETHOXY-4-(TRIFLUOROMETHYL)PHENETHYLAMINE;2C-TFM;UNII-16O4G6IKYL;16O4G6IKYL;Benzeneethanamine, 2,5-dimethoxy-4-(trifluoromethyl)-;2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethanamine;2,5-Dimethoxy-4-(trifluoromethyl)-benzeneethanamine;CHEMBL136354;SCHEMBL14655561;DTXSID70439308;CHEBI:184026;LYXGNMLWYONZID-UHFFFAOYSA-N;BDBM50038369;AKOS022182192;PD046632;4-Trifluoromethyl-2,5-dimethoxybenzeneethanamine;Q3014225;2-[2,5-dimethoxy-4-(triluoromethyl)phenyl]ethanamine;2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-ethylamine;2-[2,5-Dimethoxy-4-(trifluoromethyl)phenyl]ethan-1-amine

Chemical Property of 2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine

Chemical Property:

• Boiling Point: 306.0±42.0 °C(Predicted)
• PKA: 9.42±0.10(Predicted)
• PSA: 44.48000
• Density: 1.201±0.06 g/cm3(Predicted)
• LogP: 2.92410
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 249.09766318
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine

There total 3 articles about 2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine 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-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)-2-(trifluoroacetamido)ethane → 1-(2,5-dimethoxy-4-(trufluoromethyl)phenyl)-2-aminoethane (159277-08-4)

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; for 3h; Ambient temperature;

DOI:10.1021/jm00051a011

Reference yield:

2-(4-iodo-2,5-dimethoxyphenyl)ethylamine (69587-11-7) → 1-(2,5-dimethoxy-4-(trufluoromethyl)phenyl)-2-aminoethane (159277-08-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 92.1 percent / toluene / 2.5 h / Ambient temperature

2: 1.) CuI, KF / 1.) DMF, 120 deg C, 2.) DMF, 120 deg C, 8 h

3: 2N KOH / propan-2-ol / 3 h / Ambient temperature

With potassium fluoride; potassium hydroxide; copper(l) iodide; In isopropyl alcohol; toluene;

DOI:10.1021/jm00051a011

Reference yield:

N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]-2,2,2-trifluoroacetamide (159277-10-8) → 1-(2,5-dimethoxy-4-(trufluoromethyl)phenyl)-2-aminoethane (159277-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) CuI, KF / 1.) DMF, 120 deg C, 2.) DMF, 120 deg C, 8 h

2: 2N KOH / propan-2-ol / 3 h / Ambient temperature

With potassium fluoride; potassium hydroxide; copper(l) iodide; In isopropyl alcohol;

DOI:10.1021/jm00051a011

upstream raw materials:

2-(4-iodo-2,5-dimethoxyphenyl)ethylamine

N-[2-(2,5-dimethoxy-4-iodophenyl)ethyl]-2,2,2-trifluoroacetamide

Refernces