107202-43-7

Basic information

• Product Name: (3S)-3-(N-Boc-amino)-4-phenyl-1-butene
• Synonyms: (3S)-3-(N-Boc-amino)-4-phenyl-1-butene;(S)-3-Boc-amino-4-phenyl-1-butene;[(1S)-1-(Phenylmethyl)-2-propenyl]carbamic Acid1,1-Dimethylethyl Ester;N-[(1S)-1-(Phenylmethyl)-2-propen-1-yl]carbamic Acid ,1-Dimethylethyl Ester;(S)-tert-Butyl 1-phenylbut-3-en-2-ylcarbamate, 95%
• CAS NO: 107202-43-7
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.33
• Product Categories: Aromatics Compounds;Aromatics;Chiral Reagents
• Mol File: 107202-43-7.mol
• Article Data: 31

Chemical Properties

• Boiling Point: 361.871°C at 760 mmHg
• Flash Point: 172.654°C
• Appearance: /
• Density: 1.007g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.508
• Storage Temp.: 2-8°C
• Solubility: Chloroform, Dichloromethane
• CAS DataBase Reference: (3S)-3-(N-Boc-amino)-4-phenyl-1-butene(CAS DataBase Reference)
• NIST Chemistry Reference: (3S)-3-(N-Boc-amino)-4-phenyl-1-butene(107202-43-7)
• EPA Substance Registry System: (3S)-3-(N-Boc-amino)-4-phenyl-1-butene(107202-43-7)

Safety Data

• Hazardous Substances Data: 107202-43-7(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

InChI:InChI=1/C15H21NO2/c1-5-13(11-12-9-7-6-8-10-12)16-14(17)18-15(2,3)4/h5-10,13H,1,11H2,2-4H3,(H,16,17)/t13-/m1/s1

Upstream product

• 51987-73-6 (S)-2-tert-butoxycarbonylamino-3-phenyl-propionic acid methyl ester 
• 19493-09-5 Methylenetriphenylphosphorane 
• 1779-49-3 Methyltriphenylphosphonium bromide 
• 66605-57-0 (S)-N-tert-butoxycarbonyl-2-amino-3-phenylpropanol 
• 95092-10-7 N-methoxy-N-methyl-2-phenylacetamide 
• 140-29-4 phenylacetonitrile 
• 37442-55-0 1-phenylbut-3-en-2-one 
• 63-91-2 L-phenylalanine 
• 2018-61-3 (S)-2-acetylamino-3-phenylpropanoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 220035-13-2 (S)-3-acetylamino-4-phenyl-1-butene 
• 244092-76-0 (R)-N-(tert-butoxycarbonyl)-3-amino-4-phenyl-1-butene 
• 4732-10-9 (RS)-3-Amino-4-phenyl-1-butene 
• 756462-76-7 (R)-1-benzyl-prop-2-enylamine 

Downstream Products

• 124319-49-9 trans-2(S)-<(tert-butoxycarbonyl)amino>-1,6-diphenyl-3,5-hexadiene 
• 857904-14-4 (1S)-1-(2-oxiranyl)-2-phenyl-N-(trifluoromethyl)ethanamine 
• 143348-09-8 (2S,3S)-3-<amino>-2-hydroxy-4-phenyl-1-(N-prolylisoleucinylphenylalaninol)butane 
• 127231-61-2 (2S,3S)-3-<(N-acetyl-O-benzylserinylleucinylasparaginyl)amino>-2-hydroxy-4-phenyl-1-(N-prolylisoleucylvaline methyl ester)butane 
• 127231-42-9 (2S,3S)-3-<(N-acetylserinylleucinylasparaginyl)amino>-2-hydroxy-4-phenyl-1-(N-prolylisoleucylvaline methyl ester)butane 
• 132234-32-3 (2S,3S)-3-<amino>-2-hydroxy-4-phenyl-1-(N-prolylisoleucylvaline methyl ester)butane 
• 132234-39-0 (S)-2-((2S,3S)-2-{[(S)-1-((2S,3S)-3-{(S)-3-Carbamoyl-2-[(quinoline-2-carbonyl)-amino]-propionylamino}-2-hydroxy-4-phenyl-butyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-pentanoylamino)-3-phenyl-propionic acid methyl ester 
• 132234-38-9 (2S,3S)-3-<amino>-2-hydroxy-4-phenyl-1-(N-prolylisoleucinylphenylalanine methyl ester)butane 
• 132259-52-0 (2S,3S)-3--2-hydroxy-4-phenyl-1-(N-prolylisoleucylvaline methyl ester)butane 
• 130944-47-7 3-[(tert-butoxycarbonyl)amino]-4-phenylbutanaldehyde 
• 510728-35-5 (1S,2S,5R,6R)-2,3,5-tribenzyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one 
• 510728-34-4 (1S,2S,5S,6R)-2,3,5-tribenzyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one 
• 510728-36-6 (5R,6S)-1,3,6-tribenzyl-5-hydroxy-5,6-dihydro-1H-pyridin-2-one 
• 510728-31-1 2-Benzyl-but-3-enoic acid benzyl-((S)-1-benzyl-allyl)-amide 

Relevant articles and documents

Design and synthesis of novel phe-phe hydroxyethylene derivatives as potential coronavirus main protease inhibitors

In response to the current pandemic caused by the novel SARS-CoV-2, we design new compounds based on Lopinavir structure as an FDA-approved antiviral agent which is currently under more evaluation in clinical trials for COVID-19 patients. This is the first example of the preparation of Lopinavir isosteres from the main core of Lopinavir conducted to various heterocyclic fragments. It is proposed that main protease inhibitors play an important role in the cycle life of coronavirus. Thus, the protease inhibition effect of synthesized compounds was studied by molecular docking method. All of these 10 molecules, showing a good docking score compared. Molecular dynamics (MD) simulations also confirmed the stability of the best-designed compound in Mpro active site. Communicated by Ramaswamy H. Sarma.

Simplified Structural Mimetics of AIPS as Quorum Sensing Inhibitors

Compounds that regulate quorum sensing in Staphylococcal bacteria and in particular in Staphylococcus aureus are provided. Compounds are described in formulas I, II, III, IV, V and VI herein. One or more compounds herein can be employed to inhibit QS and to thus inhibit virulence in Staphylococcus bacteria and in particular in Staphylococcus aureus. Compounds herein and pharmaceutical compositions containing one or more of these compounds are useful, for example, in treating infections of Staphylococcus bacteria and in particular of Staphylococcus aureus. Methods for treating such bacterial infections are provided.

Fluorocyclisation via I(I)/I(III) catalysis: A concise route to fluorinated oxazolines

Herein, we describe a catalytic fluorooxygenation of readily accessible N-allylcarboxamides via an I(I)/I(III) manifold to generate 2-oxazolines containing a fluoromethyl group. Catalysis is conditional on the oxidation competence of Selectfluor, whilst HF serves as both a fluoride source and Br?nsted acid activator. The C(sp3)–F bond of the mono-fluoromethyl unit and the C(sp3)–O bond of the ring are aligned in a synclinal relationship thereby engaging in stabilising hyperconjugative interactions with vicinal, electron-rich σ-bonds (σC–C→σ*C–F and σC–H→σ*C–O). This manifestation of the stereoelectronic gauche effect was established by X-ray crystallographic analysis of a representative example. Given the importance of fluorine in drug discovery, its ability to modulate conformation, and the prevalence of the 2-oxazoline scaffold in Nature, this strategy provides a rapid entry into an important bioisostere class.