50632-82-1

Basic information

• Product Name: N-(trifluoroacetyl)-beta-alanine
• CAS NO: 50632-82-1
• Molecular Formula: C₅H₆F₃NO₃
• Molecular Weight: 185.1012
• Mol File: 50632-82-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 305.1°C at 760 mmHg
• Flash Point: 138.3°C
• Density: 1.445g/cm³
• Vapor Pressure: 0.000191mmHg at 25°C
• Refractive Index: 1.397
• CAS DataBase Reference: N-(trifluoroacetyl)-beta-alanine(CAS DataBase Reference)
• NIST Chemistry Reference: N-(trifluoroacetyl)-beta-alanine(50632-82-1)
• EPA Substance Registry System: N-(trifluoroacetyl)-beta-alanine(50632-82-1)

Safety Data

• Hazardous Substances Data: 50632-82-1(Hazardous Substances Data)

Upstream product

• 53363-38-5 C₈H₁₄F₃NO₃Si 
• 383-64-2 S-ethyl trifluoroacetate 
• 107-95-9 3-amino propanoic acid 
• 383-63-1 ethyl trifluoroacetate, 
• 407-25-0 trifluoroacetic anhydride 
• 777-33-3 N-trifluoroacetyl-L-aspartic acid anhydride 

Downstream Products

• 1166232-45-6 N₅-[2-(trifluoroacetylamino)ethylcarbonyl]-N₁-(tritylaminooxyacetyl)-1,5-diaminonaphthalene 
• 87639-83-6 N-Benzyl-3-[methyl-(2,2,2-trifluoro-acetyl)-amino]-propionamide 
• 87639-77-8 N-Benzyl-3-(2,2,2-trifluoro-acetylamino)-propionamide 
• 342428-63-1 N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoroacetylamino)propanamide 

Relevant articles and documents

Pictet-Spengler condensations using 4-(2-aminoethyl)coumarins

Androgen-deprivation therapy (ADT) is only a palliative measure, and prostate cancer invariably recurs in a lethal, castration-resistant form (CRPC). Prostate cancer resists ADT by metabolizing weak, adrenal androgens to growth-promoting 5α-dihydrotestosterone (DHT), the preferred ligand for the androgen receptor (AR). Developing small-molecule inhibitors for the final steps in androgen metabolic pathways that utilize 17-oxidoreductases required probes that possess fluorescent groups at C-3 and intact, naturally occurring functionality at C-17. Application of the Pictet-Spengler condensation to substituted 4-(2-aminoethyl)coumarins and 5α-androstane-3-ones furnished spirocyclic, fluorescent androgens at the desired C-3 position. Condensations required the presence of activating C-7 amino or N,N-dialkylamino groups in the 4-(2-aminoethyl)coumarin component of these condensation reactions. Successful Pictet-Spengler condensation, for example, of DHT with 9-(2-aminoethyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one led to a spirocyclic androgen, (3R,5S,10S,13S,17S)-17-hydroxy-10,13-dimethyl-1,2,2′,3′,4,5,6,7,8,8′,9,9′,10,11,12,12′,13,13′,14,15,16,17-docosahydro-7′H,11′H-spiro-[cyclopenta[a]phenanthrene-3,4′-pyrido[3,2,1-ij]pyrido[4′,3′:4,5]pyrano[2,3-f]quinolin]-5′(1′H)-one. Computational modeling supported the surrogacy of the C-3 fluorescent DHT analog as a tool to study 17-oxidoreductases for intracrine, androgen metabolism. This journal is

PROTECTED AMINE LABELS AND USE IN DETECTING ANALYTES

The invention is directed towards novel amino acid based compounds, which may be isotopically enriched, and methods of use of such compounds for characterising one or more molecules of a sample by mass spectrometry, the method comprising: (a) reacting the

N-trifluoroacetyl-β-alanine in the synthesis of carnosine

Conditions have been developed for the synthesis of N-trifluoroacetyl- β-alanine, N-tifluoroacetyl-β-alanyl chloride, and N-trifluoroacetyl-β-alanine 4-nitrophenyl ester. These compounds reacted with histidine methyl ester or sodium salt to give N-trifluoroacetyl-β- alanyl-l-histidine methyl ester CF3CONHCH2CH 2?CONHCH(CH2C3H3N 2)COOCH3 and N-trifluoroacetyl-β-alanyl-l-histidine CF3CONHCH2CH2CONHCH?(CH2C 3H3N2)COOH. Their hydrolysis with a solution of sodium hydroxide in aqueous ethanol, followed by acidification with trifluoroacetic acid, led to the formation of β-alanyl-l-histidine (l-carnosine).