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

Base Information

• Chemical Name: (R)-1,1,1-Trifluoro-2-propylamine
• CAS No.: 779303-24-1
• Molecular Formula: C₃H₆F₃N
• Molecular Weight: 113.083
• Hs Code.: 2921199990
• DSSTox Substance ID: DTXSID601297577
• Nikkaji Number: J728.691K
• Mol file: 779303-24-1.mol

Synonyms:779303-24-1;(R)-1,1,1-Trifluoro-2-propylamine;(R)-1,1,1-trifluoropropan-2-amine;(2R)-1,1,1-trifluoropropan-2-amine;(R)-2-Amino-1,1,1-trifluoropropane;2-Propanamine, 1,1,1-trifluoro-, (2R)-;MFCD16817687;SCHEMBL507249;DTXSID601297577;AKOS025213965;FS-5895;(2R)-1,1,1-Trifluoro-2-propanamine;CS-0099939;N12498;A856564

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

Chemical Property:

• Boiling Point: 58.9±35.0 °C(Predicted)
• PKA: 5.82±0.50(Predicted)
• Density: 1.148±0.06 g/cm3(Predicted)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 113.04523368
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

99%min ^*data from raw suppliers

(2R)-2-Amino-1,1,1-trifluoropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 15 articles about (R)-1,1,1-Trifluoro-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: 98.0%

1,1,1-trifluoro-propanone-oxime (431-40-3) → 2,2,2-Trifluoro-1-methylethanamine (421-49-8,779303-24-1)

Guidance literature:

With hydrogen; In methanol; at 90 ℃; under 1500.15 Torr; Autoclave; Large scale;

DOI:10.14233/ajchem.2015.17863

Reference yield: 93.3%

1,1,1-trifluoropropan-2-yl 4-methylbenzenesulfonate (58219-97-9,6189-13-5) → 2,2,2-Trifluoro-1-methylethanamine (421-49-8,779303-24-1)

Guidance literature:

With potassium tert-butylate; ammonia; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 6h; under 3750.38 Torr; Temperature; Solvent; Time; Reagent/catalyst; Pressure;

Reference yield:

N-1,1,1-trifluoropropan-2-ylidene-1-phenylmethanamine (119561-23-8) → 2,2,2-Trifluoro-1-methylethanamine (421-49-8,779303-24-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; benzylamine; In toluene; at 90 ℃;

DOI:10.1039/c3ra40526e

upstream raw materials:

1,1,1-trifluoro-propanone-oxime

1,1,1-trifluoropropanone oxime

rac-Ala-OH

methyl magnesium iodide

Downstream raw materials:

(S)-1,1,1-trifluoropropan-2-amine

(R)-N-(1,1,1-trifluoropropan-2-yl)acetamide

(S)-8-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-5,6-dihydro-1,7-naphthyridine-7(8H)-carboxamide

(R)-8-(4-(trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-5,6-dihydro-1,7-naphthyridine-7(8H)-carboxamide

Refernces

• 1、 Jiang,Cheng,Yuan. "Economical and practical strategies for synthesis of α-trifluoromethylated amines". . p. 2406 - 2408. Retrieved 2016/05/19.
• 2、 Zhang, Xiaoyan,Zhang, Nanjing,Chen, Guangming,Turpoff, Anthony,Ren, Hongyu,Takasugi, James,Morrill, Christie,Zhu, Jin,Li, Chunshi,Lennox, William,Paget, Steven,Liu, Yalei,Almstead, Neil,George Njoroge,Gu, Zhengxian,Komatsu, Takashi,Clausen, Valerie,Espiritu, Christine,Graci, Jason,Colacino, Joseph,Lahser, Fred,Risher, Nicole,Weetall, Marla,Nomeir, Amin,Karp, Gary M.. "Discovery of novel HCV inhibitors: Synthesis and biological activity of 6-(indol-2-yl)pyridine-3-sulfonamides targeting hepatitis C virus NS4B". . p. 3947 - 3953. Retrieved 2013/07/27.