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

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

Downstream Products

• 956000-05-8 (S)-N-(tert-butoxycarbonyl)-(4-fluorophenyl)glycinamide 
• 1266230-73-2 tert-butyl [(1S)-2-[(3S,7R,8aR)-3-[(4R)-3,4-dihydro-2H-chromen-4-ylcarbamoyl]-7-ethoxyhexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-(4-fluorophenyl)-2-oxoethyl]carbamate 
• 680231-52-1 tert-butyl ((1S)-1-(4-fluorophenyl)-2-oxo-2-{(2R,3S)-[4-oxo-2-phenyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}ethyl) carbamate 
• 903897-76-7 2-amino-N-(3,5-bis-trifluoromethyl-benzyl)-2-(4-fluoro-phenyl)-acetamide 
• 956001-37-9 (S)-tert-butyl (cyano(4-fluorophenyl)methyl)carbamate 
• 785041-04-5 (αS)-α-amino-4-fluoro-benzeneacetamide 
• 936352-80-6 C₁₄H₁₂FN₃O₅S 

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

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.

Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure

Structure-activity relationships (SAR) of 1 against HCV NS5B polymerase were described. SAR explorations and further structure-based design led to the identifications of 2 and 3 as novel HCV NS5B inhibitors. X-ray structure of 3 in complex with NS5B polymerase was obtained at a resolution of 2.2 A, and confirmed the design.