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(S)-2,2,2-TRIFLUORO-1-PHENYLETHYLAMINE HCL, with the molecular formula C8H10F3N·HCl, is a chiral amine that exists as a salt form of (S)-2,2,2-trifluoro-1-phenylethylamine. It is a crucial intermediate in the synthesis of biologically active molecules within the pharmaceutical and agrochemical industries. The HCl salt form is favored for its enhanced solubility and stability in various solvents. However, due to its corrosive nature and potential hazards, it requires careful handling and adherence to safety protocols.

128404-37-5

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128404-37-5 Usage

Uses

Used in Pharmaceutical Industry:
(S)-2,2,2-TRIFLUORO-1-PHENYLETHYLAMINE HCL is used as an intermediate for the synthesis of various biologically active molecules, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, (S)-2,2,2-TRIFLUORO-1-PHENYLETHYLAMINE HCL serves as a key intermediate in the production of compounds with pesticidal or herbicidal properties, aiding in the creation of more effective crop protection solutions.
Used in Chiral Catalysts and Ligands Preparation:
(S)-2,2,2-TRIFLUORO-1-PHENYLETHYLAMINE HCL is utilized as a component in the preparation of chiral catalysts and ligands, which are essential for asymmetric synthesis. This application is vital for producing enantiomerically pure compounds, crucial in various chemical and pharmaceutical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 128404-37-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,4,0 and 4 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 128404-37:
(8*1)+(7*2)+(6*8)+(5*4)+(4*0)+(3*4)+(2*3)+(1*7)=115
115 % 10 = 5
So 128404-37-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H/t7-;/m0./s1

128404-37-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (1S)-2,2,2-trifluoro-1-phenylethanamine,hydrochloride

1.2 Other means of identification

Product number -
Other names (S)-2,2,2-Trifluoro-1-phenylethylamine HCl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:128404-37-5 SDS

128404-37-5Downstream Products

128404-37-5Relevant academic research and scientific papers

Thermal 1,3-proton shift reaction and its application for operationally convenient and improved synthesis of α-(trifluoromethyl)benzylamine

Yasumoto, Manabu,Ueki, Hisanori,Soloshonok, Vadim A.

, p. 736 - 739 (2007)

This paper describes a synthesis of α-(trifluoromethyl)benzylamine via a novel base-free biomimetic reductive amination of α,α,α-trifluoroacetophenone with benzylamine. When the corresponding imine, derived from α,α,α-trifluoroacetophenone and benzylamine

METHOD FOR PRODUCING OPTICALLY ACTIVE TRIFLUOROMETHYL GROUP-CONTAINING AMINO ACID DERIVATIVE

-

Paragraph 0123; 0124; 0125; 0126; 0127, (2019/02/28)

PROBLEM TO BE SOLVED: To provide methods for producing optically active trifluoromethyl group-containing sulfinamide derivatives and optically active amino acids/hydrochlorides, using trifluoromethane as a generator of trifluoromethyl anions. SOLUTION: Th

Stereodivergent trifluoromethylation of: N -sulfinylimines by fluoroform with either organic-superbase or organometallic-base

Punna, Nagender,Saito, Takuya,Kosobokov, Mikhail,Tokunaga, Etsuko,Sumii, Yuji,Shibata, Norio

supporting information, p. 4294 - 4297 (2018/05/07)

Here we have successfully demonstrated the first stereodivergent direct nucleophilic trifluoromethylation of N-sulfinylimines using the potent greenhouse gas "HFC-23, fluoroform" with an organic-superbase or an organometallic-base in high yields and selectivity.

Palladium(II)-catalyzed enantioselective synthesis of α- (trifluoromethyl)arylmethylamines

Johnson, Thomas,Lautens, Mark

supporting information, p. 4043 - 4045 (2013/09/12)

Trifluoromethylacetaldimines, generated in situ from the corresponding N,O-acetals, undergo 1,2-addition of arylboroxines under palladium(II) catalysis to generate a variety of α-(trifluoromethyl)arylmethylamines with good to high enantioselectivity (up to 97% ee). The pyridine-oxazolidine (PyOX) class of ligands was found to be particularly suitable for this transformation, which proceeds without exclusion of ambient air and moisture.

Diastereoselective addition of organomagnesium and organolithium reagents to chiral trifluoromethyl N-tert-butanesulfinyl hemiaminals

Grellepois, Fabienne,Ben Jamaa, Abdelkhalek,Gassama, Abdoulaye

supporting information, p. 6694 - 6701 (2013/11/06)

The asymmetric synthesis of trifluoromethylated tertiary and secondary carbinamines (α,α-dibranched and α-branched amines) was achieved by reaction of alkyl, aryl and allyl organomagnesium or organolithium reagents to trifluoromethyl N-tert-butanesulfinyl

Thermocontrolled benzylimine-benzaldimine rearrangement over Nafion-H catalysts for efficient entry into α-trifluoromethylbenzylamines

Prakash, G.K. Surya,Glinton, Kevin E.,Panja, Chiradeep,Gurung, Laxman,Battamack, Patrice T.,T?r?k, Béla,Mathew, Thomas,Olah, George A.

experimental part, p. 607 - 611 (2012/02/13)

Nafion-H and Nafion SAC-13 are efficient solid Br?nsted acid catalysts for the preparation of trifluoromethyl ketimines from benzylamines and trifluoromethylated ketones in high yields. A finely tuned benzylimine- benzaldimine rearrangement by facile 1,3-hydrogen shift has been achieved for the formation of fluorinated benzaldimines in high yields by careful optimization of reaction conditions including attempts under microwave conditions and a flow system. These α-trifluoromethylated benzaldimines are efficient precursors for pharmaceutically important α- trifluoromethylated benzylamines, accessed through their direct acid hydrolysis.

One-pot asymmetric synthesis of α-trifluoromethylated amines from α-trifluoromethyl ketones

Xu, Jian,Liu, Zhen-Jiang,Yang, Xian-Jin,Wang, Li-Min,Chen, Guan-Long,Liu, Jin-Tao

supporting information; experimental part, p. 8933 - 8937 (2011/01/04)

Diastereoselective reduction of (Rs)-N-tert-butanesulfinyl α-trifluoromethyl ketimines formed in situ from the corresponding α-trifluoromethyl ketones and N-tert-butanesulfinamide has been achieved, and either diastereomer of N-tert-butanesulfinyl α-trifl

Enantiodivergent approach to trifluoromethylated amines: A concise route to both enantiomeric analogues of calcimimetic NPS R-568

Fernandez, Inmaculada,Valdivia, Victoria,Alcudia, Ana,Chelouan, Ahmed,Khiar, Noureddine

experimental part, p. 1502 - 1509 (2010/06/15)

Reported herein is a straightforward and enantiodivergent synthesis of both enantiomers of trifluoromethylated analogues of calcimimetic NPS R-569 in a highly estereoselective manner. The synthesis features a diastereoselective synthesis of the N-(isopropylsulfinyl)imine unit by the "DAG methodology" and a diastereoselective addition of Ruppert Prakash's reagent to the imine as the key steps. No protecting groups were necessary, permitting an atom economic synthesis in only six steps. Further addition reactions of the CF3 anion to different N-(isopropylsulfinyl)imines were performed to demonstrate the suitability of the sulfinyl substituent to balance perfectly reactivity and diastereoselectivity.

Rhodium-catalyzed diastereoselective 1,2-addition of arylboronic acids to chiral trifluoroethyl imine

Truong, Vouy Linh,Pfeiffer, Jennifer Y.

scheme or table, p. 1633 - 1635 (2009/06/18)

Rhodium-catalyzed 1,2-addition of arylboronic acids 4a-j to chiral trifluoroethyl imine 3 afforded diastereomerically enriched sulfinamides 5a-j. The chiral auxiliary of the sulfinamide products was readily removed under acidic methanolysis to provide the corresponding trifluoroethylamine analogs 6a-j.

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