(S)-2-Amino-1,1,1-trifluoropropane hydrochloride

Base Information

• Chemical Name: (S)-2-Amino-1,1,1-trifluoropropane hydrochloride
• CAS No.: 125353-44-8
• Molecular Formula: C₃H₆F₃N*ClH
• Molecular Weight: 149.543
• Hs Code.: 2921199990
• DSSTox Substance ID: DTXSID00517966
• Mol file: 125353-44-8.mol

Synonyms:125353-44-8;(S)-1,1,1-trifluoropropan-2-amine hydrochloride;(S)-2-Amino-1,1,1-trifluoropropane hydrochloride;(S)-1,1,1-Trifluoroisopropylamine hydrochloride;(2S)-1,1,1-trifluoropropan-2-amine Hydrochloride;(2S)-1,1,1-trifluoropropan-2-amine;hydrochloride;2-Propanamine, 1,1,1-trifluoro-, hydrochloride (1:1), (2S)-;MFCD07779094;2-Propanamine, 1,1,1-trifluoro-, hydrochloride, (2S)-;SCHEMBL578995;DTXSID00517966;BCP28319;AKOS005063308;AKOS015894507;DS-9096;(S)-1,1,1-Trifluoroisopropylamine HCl;AC-30074;AM803120;CS-0034931;EN300-216035;F30469;(S)-1,1,1-TRIFLUOROPROPAN-2-AMINE HCL;(S)-1,1,1-trifluoropropan-2-aminehydrochloride;(S)-2-Amino-1,1,1-trifluoropropane Hydrochlorid;(S)-2,2,2-Trifluoro-1-(methyl)ethylamine hydrochloride;(1S)-2,2,2-trifluoro-1-methylethylamine hydrogen chloride;(2S)-1,1,1-Trifluoropropan-2-amine--hydrogen chloride (1/1)

Chemical Property of (S)-2-Amino-1,1,1-trifluoropropane hydrochloride

Chemical Property:

• Appearance/Colour: off-white powder
• Vapor Pressure: 17.1mmHg at 25°C
• Boiling Point: 116 °C at 760 mmHg
• Flash Point: 23.9 °C
• PSA: 26.02000
• LogP: 2.39820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.0219114
• Heavy Atom Count: 8
• Complexity: 57.7

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-Amino-1,1,1-trifluoropropaneHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-2-Amino-1,1,1-trifluoropropane hydrochloride

There total 16 articles about (S)-2-Amino-1,1,1-trifluoropropane hydrochloride 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: 92.0%

N-benzylidene(1,1,1-trifluoroisopropyl)amine (119561-24-9) → 2-amino-1,1,1-trifluoropropane hydrochloride (125353-44-8,2968-32-3)

Guidance literature:

With hydrogenchloride; In diethyl ether; Ambient temperature;

DOI:10.1021/jo960503g

Reference yield: 91.0%

→ N-(3,5-dinitrobenzoyl)-1,1,1-trifluoroisopropylamine + (1R)-2,2,2-trifluoro-1-methylethylamine hydrochloride (125353-44-8,2968-32-3)

Guidance literature:

Reference yield: 89.0%

(RS)-N-((2R)-1,1,1-trifluoroprop-2-yl)-t-butanesulfinamide → (1R)-2,2,2-trifluoro-1-methylethylamine hydrochloride (125353-44-8,2968-32-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetasy.2017.03.003

upstream raw materials:

N-benzylidene(1,1,1-trifluoroisopropyl)amine

1,1,1-trifluoropropanone oxime

(S)-2,2,2-Trifluoro-1-p-tolylsulfanylmethyl-ethylamine

C₁₀H₁₀F₃NO

Refernces

• 1、 Packer, Gemma,Malassis, Julien,Wells, Neil,Light, Mark,Linclau, Bruno. "1,1,1-Trifluoropropan-2-ammonium triflate enantiomers: stereoselective synthesis and direct use in reaction with epoxides". . p. 539 - 544. Retrieved 2017.
• 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.