1,1,1-Trifluoro-3-phenylpropan-2-amine

Base Information

• Chemical Name: 1,1,1-Trifluoro-3-phenylpropan-2-amine
• CAS No.: 404-20-6
• Molecular Formula: C9H10F3N
• Molecular Weight: 189.18
• Hs Code.: 2921199990
• European Community (EC) Number: 818-457-7
• Mol file: 404-20-6.mol

Synonyms:1,1,1-trifluoro-3-phenylpropan-2-amine;404-20-6;137624-19-2;1-Benzyl-2,2,2-trifluoroethylamine;3,3,3-Trifluoro-1-phenyl-2-propylamine;1-BENZYL-2,2,2-TRIFLUOROETHYLAMINE 98;Benzeneethanamine, alpha-(trifluoromethyl)-;SCHEMBL638408;alpha-trifluoromethylphenethylamine;AMY15693;MFCD01166246;1-benzyl-2,2,2-trifluoro-ethylamine;AKOS012415662;AT14520;FS-5682;SB45975;1,1,1-trifluoro-3-phenyl-2-propanamine;1,1,1-trifluoro-2-amino-3-phenylpropane;2-Amino-3-phenyl-1,1,1-trifluoropropane;FT-0736614;FT-0752419;EN300-89608;1,1,1-tris(fluoranyl)-3-phenyl-propan-2-amine;A807286;Z1094758828

Chemical Property of 1,1,1-Trifluoro-3-phenylpropan-2-amine

Chemical Property:

• Boiling Point: 66 - 69 °C (2 mmHg)
• PKA: 5.69±0.50(Predicted)
• Flash Point: 95℃
• PSA: 26.02000
• Density: 1.188
• LogP: 2.81900
• XLogP3: 2.5
• 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:

98%min ^*data from raw suppliers

1-Benzyl-2,2,2-trifluoroethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trifluoro-3-phenylpropan-2-amine

There total 14 articles about 1,1,1-Trifluoro-3-phenylpropan-2-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: 99.0%

N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide (328-61-0) → (+/-)-1,1,1-trifluoro-3-phenyl-2-aminopropane (404-20-6,137624-19-2)

Guidance literature:

With hydrogenchloride; In methanol; water; at 80 ℃; for 15h;

DOI:10.1039/c3ra40526e

Reference yield: 97.0%

(+/-)-1,1,1-trifluoro-3-phenyl-2-aminopropane hydrochloride (330-70-1) → (+/-)-1,1,1-trifluoro-3-phenyl-2-aminopropane (404-20-6,137624-19-2)

Guidance literature:

With triethylamine; In diethyl ether; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(00)76845-6

Reference yield: 82.0%

1,1,1-Trifluoro-3-phenylpropan-2-one (350-92-5) → (+/-)-1,1,1-trifluoro-3-phenyl-2-aminopropane (404-20-6,137624-19-2)

Guidance literature:

With ammonia; hydrogen; In tetrahydrofuran; at 120 ℃; for 24h;

DOI:10.1126/science.aan6245

upstream raw materials:

1,1,1-Trifluoro-3-phenylpropan-2-one

Phenylalanine

(+/-)-1,1,1-trifluoro-3-phenyl-2-aminopropane hydrochloride

oxime de la trifluoro-methyl benzyl cetone

Downstream raw materials:

N-(1,1,1-trifluoro-3-phenylpropan-2-yl)acetamide

(S)-N-acetyl-3-phenyl-1,1,1-trifluoro-2-propyl amine

(R)-3,3,3-trifluoro-1-phenyl-2-propylamine

N-(1,1,1-trifluoro-3-phenyl-2-propyl)formamide

Refernces

• 1、 Zhang, Xue,Wang, Xin,Gao, Yuelei,Xu, Xianxiu. "Silver-catalyzed formal [3+2]-cycloaddition of α-trifluoromethylated methyl isocyanides: a facile stereoselective synthesis of CF3-substituted heterocycles". . p. 2427 - 2430. Retrieved 2017/03/01.
• 2、 Das, Manas,O'Shea, Donal F.. "Synthesis and application of benzyl-TMS derivatives as bench stable benzyl anion equivalents". . p. 6448 - 6460. Retrieved 2013/07/26.