3-(4-(Trifluoromethyl)phenyl)propan-1-amine

Base Information

• Chemical Name: 3-(4-(Trifluoromethyl)phenyl)propan-1-amine
• CAS No.: 101488-60-2
• Molecular Formula: C10H12F3N
• Molecular Weight: 203.2041896
• DSSTox Substance ID: DTXSID80563865
• Wikidata: Q82448361
• Mol file: 101488-60-2.mol

Synonyms:101488-60-2;3-(4-(Trifluoromethyl)phenyl)propan-1-amine;Benzenepropanamine, 4-(trifluoromethyl)-;3-[4-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-AMINE;4-(Trifluoromethyl)benzenepropanamine;3-(4-TRIFLUOROMETHYL-PHENYL)-PROPYLAMINE;SCHEMBL2025850;DTXSID80563865;3-(4-trifluoromethylphenyl)propylamine;AKOS005217414;AB38706;CS-0077276;4-(TRIFLUOROMETHYL)-BENZENEPROPANAMINE;C77697;EN300-1938235;A908422

Chemical Property of 3-(4-(Trifluoromethyl)phenyl)propan-1-amine

Chemical Property:

• Boiling Point: 231.3±40.0 °C(Predicted)
• PKA: 10.08±0.10(Predicted)
• PSA: 26.02000
• Density: 1.154±0.06 g/cm3(Predicted)
• LogP: 3.29700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 203.09218387
• Heavy Atom Count: 14
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethyl)benzenepropanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCN)C(F)(F)F
• Uses: 4-(Trifluoromethyl)-benzenepropanamine is a useful reagent for synthesis of a pan-kit kinase inhibitor, which inhibits tyrosine kinase activity.

Technology Process of 3-(4-(Trifluoromethyl)phenyl)propan-1-amine

There total 3 articles about 3-(4-(Trifluoromethyl)phenyl)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:

3-(4-(trifluoromethyl)phenyl)acrylamide (536760-75-5) → 3-(4-trifluoromethylphenyl)propylamine (101488-60-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h;

DOI:10.1016/S0968-0896(97)00093-X

Reference yield:

4-(trifluoromethyl)cinnamic acid (16642-92-5,87212-84-8,2062-26-2) → 3-(4-trifluoromethylphenyl)propylamine (101488-60-2)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂, DMF / CHCl₃ / 3.5 h / Heating

2: aq. NH₃ / diethyl ether / 18.5 h

3: LiAlH₄ / tetrahydrofuran / 5 h

With ammonium hydroxide; lithium aluminium tetrahydride; thionyl chloride; N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; chloroform;

DOI:10.1016/S0968-0896(97)00093-X

Reference yield:

3-(4-trifluoromethyl-phenyl)-acryloyl chloride (120681-07-4,105919-36-6) → 3-(4-trifluoromethylphenyl)propylamine (101488-60-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₃ / diethyl ether / 18.5 h

2: LiAlH₄ / tetrahydrofuran / 5 h

With ammonium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether;

DOI:10.1016/S0968-0896(97)00093-X

upstream raw materials:

3-(4-(trifluoromethyl)phenyl)acrylamide

4-(trifluoromethyl)cinnamic acid

3-(4-trifluoromethyl-phenyl)-acryloyl chloride