142186-36-5

Basic information

• Product Name: (S)-N-BOC-4-FLUOROPHENYLGLYCINE
• Synonyms: (S)-N-BOC-4-FLUOROPHENYLGLYCINE;(S)-TERT-BUTOXYCARBONYLAMINO-(4-FLUORO-PHENYL)-ACETIC ACID;(S)-2-(TERT-BUTOXYCARBONYLAMINO)-2-(4-FLUOROPHENYL)ACETIC ACID;(L)-N-TERT-BUTOXYCARBONYL-ALPHA-(4-FLUOROPHENYL)ACETIC ACID;BOC-4-FLUORO-L-PHENYLGLYCINE;(S)-N-Boc-4-fluorophenylglycine(e.e.);(S)-N-BOC-4-FLUOROPHENYLGLYCINE 95% (98% E.E.);(S)-N-Boc-4-fluorophenylglycine, 95%, ee:98%
• CAS NO: 142186-36-5
• Molecular Formula: C₁₃H₁₆FNO₄
• Molecular Weight: 269.27
• Mol File: 142186-36-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 130.2 °C
• Boiling Point: 408.4°Cat760mmHg
• Flash Point: 200.8°C
• Appearance: White/Powder
• Density: 1.2168 (estimate)
• Vapor Pressure: 2.1E-07mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 3.47±0.10(Predicted)
• CAS DataBase Reference: (S)-N-BOC-4-FLUOROPHENYLGLYCINE(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-N-BOC-4-FLUOROPHENYLGLYCINE(142186-36-5)
• EPA Substance Registry System: (S)-N-BOC-4-FLUOROPHENYLGLYCINE(142186-36-5)

Safety Data

• Safety Statements: 24/25
• HazardClass: IRRITANT
• Hazardous Substances Data: 142186-36-5(Hazardous Substances Data)

Usage

Chemical Properties

white powder

InChI:InChI=1/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)/p-1/t10-/m0/s1

Upstream product

• 124-38-9 carbon dioxide 
• 196707-30-9 N-(trimethylsilyl)-N-(tert-butyloxycarbonyl)-4-fluorobenzylamine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 19883-57-9 (S)-2-amino-2-(4-fluorophenyl)acetic acid 
• 140-75-0 para-fluorobenzylamine 
• 153903-23-2 (4-fluorobenzyl)carbamic acid tert-butyl ester 
• 1021948-11-7 C₁₅H₂₀FNO₃S 

Downstream Products

• 956000-05-8 (S)-N-(tert-butoxycarbonyl)-(4-fluorophenyl)glycinamide 
• 936352-73-7 C₂₀H₂₁FN₂O₇S 
• 936352-69-1 C₂₀H₂₃FN₂O₅S 
• 936352-74-8 C₁₉H₂₀FN₃O₇S 
• 936352-75-9 C₁₅H₁₅FN₂O₃S 
• 936352-77-1 C₁₄H₁₂FN₃O₅S 
• 936352-78-2 C₁₆H₁₅FN₂O₅S 
• 936352-79-3 C₁₅H₁₃FN₂O₅S 
• 936352-80-6 C₁₄H₁₂FN₃O₅S 
• 785041-04-5 (αS)-α-amino-4-fluoro-benzeneacetamide 
• 956001-37-9 (S)-tert-butyl (cyano(4-fluorophenyl)methyl)carbamate 
• 903897-76-7 2-amino-N-(3,5-bis-trifluoromethyl-benzyl)-2-(4-fluoro-phenyl)-acetamide 

Relevant articles and documents

Amide derivative and application thereof

The invention relates to the field of chemical medicines, in particular to an amide derivative and application thereof. The amide derivative disclosed by the invention is shown I as a compound shown in the specification, and acts on 5 - HT. 2A

Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study

A novel series of thiazolone-acylsulfonamides were designed as HCV NS5B polymerase allosteric inhibitors. The structure based drug designs (SBDD) were guided by docking results that revealed the potential to explore an additional pocket in the allosteric site. In particular, the designed molecules contain moieties of previously described thiazolone and a newly designed acylsulfonamide linker that is in turn connected with a substituted aromatic ring. The selected compounds were synthesized and demonstrated low μM activity. The X-ray complex structure was determined at a 2.2 A resolution and converged with the SBDD principle.

Chemo-enzymatic dynamic kinetic resolution of amino acid thioesters

The L-forms of racemic-N-protected-β,γa,aunsaturated a-amino acid thioesters were found to be substrates for the subtilisin-catalysed hydrolysis to the corresponding acids. The D-enantiomer was continuously racemised in the presence of an organic base. The combined reactions in a biphasic system allowed the deracemisation of the amino acid derivatives based on a dynamic kinetic resolution. Excellent yields and enantioselectivities were achieved.