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

Base Information

• Chemical Name: (R)-3,3,3-Trifluoro-1-phenyl-2-propylamine
• CAS No.: 763907-26-2
• Molecular Formula: C₉H₁₀F₃N
• Molecular Weight: 189.18
• DSSTox Substance ID: DTXSID10473084
• Nikkaji Number: J851.866A
• Wikidata: Q82302259
• Mol file: 763907-26-2.mol

Synonyms:(R)-3,3,3-Trifluoro-1-phenyl-2-propylamine;763907-26-2;(2R)-1,1,1-trifluoro-3-phenylpropan-2-amine;DTXSID10473084;ISYDGOJLGJTVQL-MRVPVSSYSA-N;MolPort-027-945-983;AKOS026672243;AT14524;FS-6467;EN300-392747;(R)-1,1,1-TRIFLUORO-3-PHENYLPROPAN-2-AMINE

Chemical Property of (R)-3,3,3-Trifluoro-1-phenyl-2-propylamine

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(F)(F)F)N
• Isomeric SMILES: C1=CC=C(C=C1)C[C@H](C(F)(F)F)N

Technology Process of (R)-3,3,3-Trifluoro-1-phenyl-2-propylamine

There total 8 articles about (R)-3,3,3-Trifluoro-1-phenyl-2-propylamine 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:

(R)-4-methoxy-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)aniline → (R)-3,3,3-trifluoro-1-phenyl-2-propylamine (763907-26-2,137624-19-2)

Guidance literature:

With ammonium cerium (IV) nitrate; In water; acetonitrile; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol802733t

Reference yield:

Isopropyl acetate (108-21-4) + (+/-)-1,1,1-trifluoro-3-phenyl-2-aminopropane (404-20-6,137624-19-2) → (S)-N-acetyl-3-phenyl-1,1,1-trifluoro-2-propyl amine (1108200-12-9) + (R)-3,3,3-trifluoro-1-phenyl-2-propylamine (763907-26-2,137624-19-2)

Guidance literature:

With palladium/alumina; triethylamine; In toluene; at 70 ℃; for 168h; Reagent/catalyst; Time; stereoselective reaction; Molecular sieve; Resolution of racemate; Green chemistry; Enzymatic reaction;

DOI:10.1039/c3ra40526e

Reference yield:

((R)-1-Benzyl-2,2,2-trifluoro-ethyl)-[1-phenyl-eth-(E)-ylidene]-amine (189350-50-3) → (R)-3,3,3-trifluoro-1-phenyl-2-propylamine (763907-26-2,137624-19-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; Ambient temperature;

DOI:10.1021/jo970425c

upstream raw materials:

((R)-1-Benzyl-2,2,2-trifluoro-ethyl)-[1-phenyl-eth-(E)-ylidene]-amine

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

[1-Benzyl-2,2,2-trifluoro-eth-(E)-ylidene]-((S)-1-phenyl-ethyl)-amine

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

Downstream raw materials:

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

Refernces

• 1、 Fustero, Santos,Pozo, Carlos Del,Catalan, Silvia,Aleman, Jose,Parra, Alejandro,Marcos, Vanesa,Ruano, Jose Luis Garcia. "A new strategy for the synthesis of optically pure β-fluoroalkyl β-amino acid derivatives". supporting information; experimental part. p. 641 - 644. Retrieved 2009/08/14.