183266-61-7

Basic information

• Product Name: 1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE&
• Synonyms: 1-(Trifluoromethyl)acetylbenzotriazole, 96%(mixture of Bt1 and Bt2 isomers);1H-Benzotriazole, 1-(trifluoroacetyl)- (9CI);N-Trifluoroacetylbenzotriazole;TFABI;(Trifluoroacetyl)benzotriazole;(Trifluoroacetyl)benzotriazole (mixture of 1H- and 2H- isomers);(Trifluoroacetyl)benzotriazole (mixture of 1H- and 2H- isomers)
• CAS NO: 183266-61-7
• Molecular Formula: C₈H₄F₃N₃O
• Molecular Weight: 215.1320696
• Product Categories: ACETYLHALIDE
• Mol File: 183266-61-7.mol

Chemical Properties

• Melting Point: 66-70 °C(lit.)
• Boiling Point: 243.8°C at 760 mmHg
• Flash Point: 101.3°C
• Appearance: /
• Density: 1.58g/cm³
• Vapor Pressure: 0.0314mmHg at 25°C
• Refractive Index: 1.581
• Solubility: soluble in Methanol
• CAS DataBase Reference: 1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE&(CAS DataBase Reference)
• NIST Chemistry Reference: 1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE&(183266-61-7)
• EPA Substance Registry System: 1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE&(183266-61-7)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 183266-61-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE& is used as a reactant for defluorination dimerization reactions mediated by single electron transfer (SET) reagent, sodium naphthalenide. This reaction is crucial in the synthesis of various pharmaceutical compounds.
Used in Cancer Research:
1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE& is used as a component in the preparation of scaffolds endowed with anticancer activity against breast cancer cells. Its unique structure contributes to the development of potential therapeutic agents.
Used in Peptide Synthesis:
1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE& is used as a building block in the synthesis of aspartylglycine dipeptide mimetics. These mimetics have potential applications in the development of drugs targeting various diseases, including neurodegenerative disorders.
Used in Organic Synthesis:
1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE& is used as a coupling agent in reactions for the synthesis of carboxylic acid esters. Its reactivity and stability make it a valuable component in the development of new organic compounds.
Used in Trifluoroacetylation Reactions:
1-TRIFLUOROMETHYLACETYLBENZOTRIAZOLE& is used as a trifluoroacetylating agent in various chemical reactions. Its ability to introduce a trifluoroacetyl group into a molecule can enhance the properties of the resulting compound, such as increasing its lipophilicity and metabolic stability.

InChI:InChI=1/C8H4F3N3O/c9-8(10,11)7(15)14-6-4-2-1-3-5(6)12-13-14/h1-4H

Upstream product

• 95-14-7 1,2,3-Benzotriazole 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 95-14-7 1,2,3-Benzotriazole 
• 658-78-6 1-nitro-4-trifluoroacetoxy-benzene 
• 327-70-8 trifluoroacetic acid n-pentyl ester 
• 7556-79-8 trifluoroacetic acid, 2,2-dimethylpropyl ester 
• 658-74-2 4-chlorophenyl trifluoroacetate 
• 1960-29-8 N-tert-butyl-2,2,2-trifluoroethanamide 
• 700816-05-3 methyl 2-(2,2,2-trifluoro-acetylamino)-3-carbobenzyloxy-(2S,3S)-hex-5-enoate 
• 817160-27-3 N-(2,2-dimethoxyethyl)-2,2,2-trifluoro-N-(2-hydroxybenzyl)acetamide 
• 2368-64-1 2,2,2-trifluoro-N-(2-(trifluoromethyl)phenyl)acetamide 
• 941476-75-1 N-(2-chloro-6-methylphenyl)trifluoroacetamide 
• 404-24-0 2,2,2-trifluoro-N-phenylacetamide 
• 14815-12-4 N-(2-methoxyphenyl)-2,2,2-trifluoro-acetamide 
• 162557-83-7 N-<4-(phenylamino)phenyl>-2,2,2-trifluoroacetamide 
• 1549-45-7 cyclohexyl trifluoroacetate 

Relevant articles and documents

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Alkylation of Nα-Boc protected aspartic acid with allyl bromide in the presence of lithium bis(trimethylsilyl)amide (LHMDS) and hexamethylphosphoramide (HMPA) afforded chiral β-allyl substituted aspartic acid in good yields. After deprotection of the Nα-Boc group and reprotection as a trifluoroacetamide, the terminal alkene was oxidized to an aldehyde. The aldehyde was then coupled with L-cysteine through a cascade three-bond formation process to afford aspartic acid-glycine bicyclic dipeptide mimetics.

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