3,3,3-Trifluoro-1-phenylpropan-1-amine

Base Information

• Chemical Name: 3,3,3-Trifluoro-1-phenylpropan-1-amine
• CAS No.: 942996-06-7
• Molecular Formula: C₉H₁₀F₃N
• Molecular Weight: 189.18
• European Community (EC) Number: 844-653-7
• DSSTox Substance ID: DTXSID10591510
• Mol file: 942996-06-7.mol

Synonyms:3,3,3-trifluoro-1-phenylpropan-1-amine;942996-06-7;3,3,3-Trifluoro-1-phenyl-propylamine;(R)-3,3,3-Trifluoro-1-phenyl-propylamine;(S)-3,3,3-Trifluoro-1-phenyl-propylamine;(R)-3,3,3-Trifluoro-1-phenylpropan-1-amine;SCHEMBL381296;DTXSID10591510;KBXXAXKUJGFVHY-UHFFFAOYSA-N;MFCD09814330;AKOS000163816;AKOS022488622;AT15124;FS-3448;SB31817;SB38308;SB40120;DB-228418;CS-0250338;EN300-50504;F2147-5038;Z291232304

Chemical Property of 3,3,3-Trifluoro-1-phenylpropan-1-amine

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.07653381
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

3,3,3-Trifluoro-1-phenyl-propylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(F)(F)F)N

Technology Process of 3,3,3-Trifluoro-1-phenylpropan-1-amine

There total 4 articles about 3,3,3-Trifluoro-1-phenylpropan-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: 93.0%

(1-azido-3,3,3-trifluoropropyl)benzene (1602484-95-6) → 3,3,3-trifluoro-1-phenylpropan-1-amine (942996-06-7)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; at 60 ℃; for 4h; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/cjoc.201400167

Reference yield:

4,4,4-trifluoro-2-phenylbutanoic acid (1073477-18-5) → 3,3,3-trifluoro-1-phenylpropan-1-amine (942996-06-7)

Guidance literature:

4,4,4-trifluoro-2-phenylbutanoic acid; With chloroformic acid ethyl ester; triethylamine; In acetone; at 0 ℃; for 2h;

With sodium azide; In water; acetone; for 3h;

With hydrogenchloride; sodium hydroxide; more than 3 stages;

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 3,3,3-trifluoro-1-phenylpropan-1-amine (942996-06-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(actonitrile)copper(I) hexafluorophosphate; trimethylsilylazide / N,N-dimethyl acetamide / 20 °C

2: indium; ammonium chloride / methanol / 2 h / Reflux

With indium; tetrakis(actonitrile)copper(I) hexafluorophosphate; trimethylsilylazide; ammonium chloride; In methanol; N,N-dimethyl acetamide;

DOI:10.1002/anie.201309991

upstream raw materials:

4,4,4-trifluoro-2-phenylbutanoic acid

(1-azido-3,3,3-trifluoropropyl)benzene

styrene

Downstream raw materials:

C₁₇H₁₆F₃NO₂

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