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N-benzyl-2,2,2-trifluoroethanamine (SALTDATA: FREE), also known as FREE, is a polar, organic chemical compound with the molecular formula C9H10F3N. It is a colorless liquid with a faint odor, insoluble in water, and soluble in organic solvents. FREE is commonly used as a reagent in organic synthesis and serves as a precursor in the manufacture of pharmaceuticals, agrochemicals, and various fine chemicals. Its antifungal and antimicrobial properties also make it potentially useful in a range of industrial and medical applications.

85963-50-4

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85963-50-4 Usage

Uses

Used in Pharmaceutical Industry:
N-benzyl-2,2,2-trifluoroethanamine (SALTDATA: FREE) is used as a precursor for the synthesis of pharmaceuticals, contributing to the development of new drugs and improving the efficacy of existing ones.
Used in Agrochemical Industry:
FREE is utilized as a building block in the production of agrochemicals, helping to create more effective and environmentally friendly pesticides and other agricultural products.
Used in Fine Chemicals Production:
N-benzyl-2,2,2-trifluoroethanamine (SALTDATA: FREE) is employed as a key component in the synthesis of various fine chemicals, enhancing their performance and expanding their applications.
Used in Antimicrobial Applications:
FREE is used as an antimicrobial agent, leveraging its antifungal and antibacterial properties to combat infections and promote hygiene in medical and industrial settings.
Used in Industrial Applications:
N-benzyl-2,2,2-trifluoroethanamine (SALTDATA: FREE) is applied in various industrial processes, where its unique chemical properties contribute to the development of innovative products and technologies.

Check Digit Verification of cas no

The CAS Registry Mumber 85963-50-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,9,6 and 3 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 85963-50:
(7*8)+(6*5)+(5*9)+(4*6)+(3*3)+(2*5)+(1*0)=174
174 % 10 = 4
So 85963-50-4 is a valid CAS Registry Number.

85963-50-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name N-benzyl-2,2,2-trifluoroethanamine

1.2 Other means of identification

Product number -
Other names BB_SC-9169

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:85963-50-4 SDS

85963-50-4Relevant academic research and scientific papers

Novel hybrid conjugates with dual estrogen receptor α degradation and histone deacetylase inhibitory activities for breast cancer therapy

Zhao, Chenxi,Tang, Chu,Li, Changhao,Ning, Wentao,Hu, Zhiye,Xin, Lilan,Zhou, Hai-Bing,Huang, Jian

, (2021/05/10)

Hormone therapy targeting estrogen receptors is widely used clinically for the treatment of breast cancer, such as tamoxifen, but most of them are partial agonists, which can cause serious side effects after long-term use. The use of selective estrogen receptor down-regulators (SERDs) may be an effective alternative to breast cancer therapy by directly degrading ERα protein to shut down ERα signaling. However, the solely clinically used SERD fulvestrant, is low orally bioavailable and requires intravenous injection, which severely limits its clinical application. On the other hand, double- or multi-target conjugates, which are able to synergize antitumor activity by different pathways, thus may enhance therapeutic effect in comparison with single targeted therapy. In this study, we designed and synthesized a series of novel dual-functional conjugates targeting both ERα degradation and histone deacetylase inhibiton by combining a privileged SERD skeleton 7-oxabicyclo[2.2.1]heptane sulfonamide (OBHSA) with a histone deacetylase inhibitor side chain. We found that substituents on both the sulfonamide nitrogen and phenyl group of OBHSA unit had significant effect on biological activities. Among them, conjugate 16i with N-methyl and naphthyl groups exhibited potent antiproliferative activity against MCF-7 cells, and excellent ERα degradation activity and HDACs inhibitory ability. A further molecular docking study indicated the interaction patterns of these conjugates with ERα, which may provide guidance to design novel SERDs or PROTAC-like SERDs for breast cancer therapy.

Scalable preparation of stable and reusable silica supported palladium nanoparticles as catalysts for N-alkylation of amines with alcohols

Alshammari, Ahmad S.,Natte, Kishore,Kalevaru, Narayana V.,Bagabas, Abdulaziz,Jagadeesh, Rajenahally V.

, p. 141 - 149 (2020/01/06)

The development of nanoparticles-based heterogeneous catalysts continues to be of scientific and industrial interest for the advancement of sustainable chemical processes. Notably, up-scaling the production of catalysts to sustain unique structural features, activities and selectivities is highly important and remains challenging. Herein, we report the expedient synthesis of Pd-nanoparticles as amination catalysts by the reduction of simple palladium salt on commercial silica using molecular hydrogen. The resulting Pd-nanoparticles constitute stable and reusable catalysts for the synthesis of various N-alkyl amines using borrowing hydrogen technology without the use of any base or additive. By applying this Pd-based catalyst, functionalized and structurally diverse N-alkylated amines as well as some selected drug molecules were synthesized in good to excellent yields. Practical and synthetic utility of this Pd-based amination protocol has been demonstrated by upscaling catalyst preparation and amination reactions to several grams-scales as well as recycling of catalyst. Noteworthy, this Pd-catalyst preparation has been up-scaled to kilogram scale and catalysts prepared in both small (1 g) and large-scale (kg) exhibited similar structural features and activity.

Catalytic reduction of amides to amines by electrophilic phosphonium cations via FLP hydrosilylation

Augurusa, Alessandra,Mehta, Meera,Perez, Manuel,Zhu, Jiangtao,Stephan, Douglas W.

, p. 12195 - 12198 (2016/10/21)

A catalytic methodology for the conversion of amides to amines is reported. Of the 25 examples described, 14 examples involve the reduction of N-trifluoroacetamides to the corresponding trifluoroethylamines. These reductions are achieved by catalytic hydrosilylation of the amide mediated by an electrophilic phosphonium cation (EPC) catalyst.

NOVEL COMPOUNDS

-

Page/Page column 41, (2011/02/18)

The present invention relates to new CGRP-antagonists of general formula I wherein U, V, X, Y, R1, R2, R3 and R4 are defined as in the description, the tautomers, the isomers, the diastereomers, the enantiomers, the hydrates, the mixtures thereof and the salts thereof and the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, medicaments containing these compounds, their use and processes for preparing them.

NOVEL COMPOUNDS

-

Page/Page column 91, (2011/08/22)

The present invention relates to new CGRP-antagonists of general formula I wherein U, V, X, Y, R1, R2, R3 and R4 are defined as mentioned in the description, the tautomers thereof, the isomers thereof, the diastereomers thereof, the enantiomers thereof, the hydrates thereof, the mixtures thereof and the salts thereof as well as the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, medicaments containing these compounds, the use thereof and processes for the preparation thereof.

N-Substituted α-trifluoromethyl β-nitro amines in the synthesis of fluorine-containing 1,2-diamines, amino alcohols, and β-amino acids

Korotaev,Barkov,Kodess,Kutyashev,Slepukhin,Zapevalov

, p. 1886 - 1898 (2011/01/08)

Reactions of 2-diazo-1,1,1-trifluoro-3-nitropropane or 1-trifluoromethyl-2- nitroethenes with amines and amino alcohols afforded N-mono- and N,N-disubstituted α-trifluoromethyl β-nitro amines, which were used to obtain a number of trifluoromethyl-containing 1,2-diamines, amino alcohols, and β-amino acids.

Barbier conditions for reformatsky and alkylation reactions on trifluoromethyl aldimines

Dos Santos, Mickael,Crousse, Benoit,Bonnet-Delpon, Danièle

, p. 399 - 401 (2008/09/16)

β-Trifluoromethyl β-amino acids and α-trifluoromethyl α-alkyl amines can be easily prepared under Barbier conditions from trifluoromethyl aldimines in moderate to good yields. β-Trifluoromethyl β-amino acids were obtained in good enantioselectivity from t

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