27240-49-9

Basic information

• Product Name: METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINATE
• Synonyms: METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINATE
• CAS NO: 27240-49-9
• Molecular Formula: C₁₂H₁₂F₃NO₄
• Molecular Weight: 291.22
• Mol File: 27240-49-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 91.0 °C
• Boiling Point: 370.502°C at 760 mmHg
• Flash Point: 177.873°C
• Appearance: /
• Density: 1.319g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.473
• PKA: 9.25±0.46(Predicted)
• CAS DataBase Reference: METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINATE(27240-49-9)
• EPA Substance Registry System: METHYL N-[(BENZYLOXY)CARBONYL]-3,3,3-TRIFLUOROALANINATE(27240-49-9)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 27240-49-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H12F3NO4/c1-19-10(17)9(12(13,14)15)16-11(18)20-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,16,18)

Upstream product

• 501-53-1 benzyl chloroformate 
• 129398-24-9 2-benzyloxycarbonylamino-3,3,3-trifluoro-2-hydroxypropionic acid methyl ester 
• 621-84-1 O-benzyl carbamate 
• 276862-99-8 (2S,3S)-2-benzyloxycarbonyl[N-(toluene-4-thio)amino]-3-trifluoroacetoxy-2-trifluoromethylbutyric acid methyl ester 
• 173558-71-9 2-diazo-3,3,3-trifluoropropionic acid methyl ester 
• 103972-62-9 methyl 3,3,3-trifluoro-2-isocyanatopropionate 
• 100-51-6 benzyl alcohol 
• 134297-37-3 (N-Benzoxycarbonyl)-2-cyano-3,3,3-trifluoroalaninmethylester 
• 186581-53-3 diazomethane 
• 10068-52-7 2-(N-benzyloxycarbonylamino)-3,3,3-trifluoropropionic acid 
• 128970-26-3 2-benzyloxycarbonylimino-3,3,3-trifluoropropionic acid methyl ester 

Downstream Products

• 129398-26-1 methyl 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)pent-4-enoate 
• 10068-52-7 2-(N-benzyloxycarbonylamino)-3,3,3-trifluoropropionic acid 
• 177469-13-5 (-)-(2R)-N-benzyloxycarbonyl-3,3,3-trifluoroalanine 
• 27240-44-4 3,3,3-Trifluoroalaninmethylester 
• 27282-18-4 methyl hydrogen (benzyloxycarbonylamino)malonate 

Relevant articles and documents

Synthesis of α-trifluoromethyl substituted α-amino acid derivatives from methyl 3,3,3-trifluoro-2-diazopropionate

New derivatives 2-7 of α-trifluoromethyl substituted amino acids are synthesized via transformation of ammonium ylides formed on reaction of methyl 3,3,3-trifluoro-2-diazopropionate with amines and amides, respectively.

New Synthetic Pathways to 3,3,3-Trifluoroalanine, 2-Deutero-3,3,3-trifluoroalanine and their Derivatives

New synthetic pathways to 3,3,3-trifluoroalanine, 2-deutero-3,3,3-trifluoroalanine, their esters, amides, and thioamides are described, starting from hexafluoroacetone, and trifluoropyruvates, respectively.

Fluoro amino acids. V. Reactions of 3.3.3-trifluoroalanine and its use for peptide syntheses

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