Products Categories
CAS No.: | 189028-93-1 |
---|---|
Name: | (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone |
Molecular Structure: | |
|
|
Formula: | C20H18FNO4 |
Molecular Weight: | 355.366 |
Synonyms: | 2-Oxazolidinone,3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4S)- (9CI);2-Oxazolidinone,3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (S)-;(S)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one;(S)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one; |
EINECS: | 606-164-5 |
Density: | 1.288 g/cm3 |
Melting Point: | 90.0 to 94.0 °C |
Boiling Point: | 568.4 °C at 760 mmHg |
Flash Point: | 297.6 °C |
PSA: | 63.68000 |
LogP: | 3.83670 |
((1-(4-fluorophenyl)vinyl)oxy)trimethylsilane
(4S)-3-(1-oxo-2-propen-1-yl)-4-phenyl-1,3-oxazolidin-2-one
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
With iodine In toluene at 40℃; | 94% |
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
With pyridinium chlorochromate In dichloromethane at 40℃; for 2h; | 91% |
(S)-4-phenyl-2-oxazolidinone
5-(4-fluorophenyl)-5-oxopentanoic acid
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane | 86% |
Stage #1: 5-(4-fluorophenyl)-5-oxopentanoic acid With dmap; pivaloyl chloride In N,N-dimethyl-formamide at 2 - 20℃; for 1.5h; Stage #2: (S)-4-phenyl-2-oxazolidinone In N,N-dimethyl-formamide at 30 - 35℃; for 2h; | 85.7% |
Stage #1: 5-(4-fluorophenyl)-5-oxopentanoic acid With pivaloyl chloride; triethylamine In tetrahydrofuran at -10℃; for 4h; Evans Aldol Reaction; Inert atmosphere; Stage #2: (S)-4-phenyl-2-oxazolidinone With lithium chloride In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; | 85% |
pivaloyl chloride
5-(4-fluorophenyl)-5-oxopentanoic acid
(S)-5-phenyl-1,3-oxazolidine-2-one
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
Stage #1: pivaloyl chloride; 5-(4-fluorophenyl)-5-oxopentanoic acid With dmap In N,N-dimethyl-formamide at 2 - 20℃; for 1.5h; Stage #2: (S)-5-phenyl-1,3-oxazolidine-2-one With dmap In N,N-dimethyl-formamide at 30 - 35℃; for 2h; | 85.7% |
C16H19FO4
(S)-4-phenyl-2-oxazolidinone
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
Stage #1: C16H19FO4; (S)-4-phenyl-2-oxazolidinone With dmap In N,N-dimethyl-formamide for 7h; Heating / reflux; Stage #2: With sulfuric acid In water; N,N-dimethyl-formamide for 0.5h; Stage #3: With sodium hydrogencarbonate In water; N,N-dimethyl-formamide | |
With dmap In DMF (N,N-dimethyl-formamide) for 7h; Heating / reflux; |
(S)-4-phenyl-2-oxazolidinone
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: chloro-trimethyl-silane / dichloromethane / 0.5 h / 0 - 10 °C 1.2: 2 h / 0 - 10 °C 1.3: 2 h / 0 - 20 °C 2.1: iodine / toluene / 40 °C View Scheme |
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 2: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 3: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme | |
Multi-step reaction with 3 steps 1: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 2: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 3: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme |
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 2: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 3: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme | |
Multi-step reaction with 3 steps 1: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 2: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 3: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme |
(R,S)-3-[5-(4-fluorophenyl)-5-hydroxy-pentanoyl]-4-phenyl-oxazolidin-2-one
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 2: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme | |
Multi-step reaction with 4 steps 1: triethylamine; dmap / dichloromethane / 4 h / 0 °C 2: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 3: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 4: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme | |
Multi-step reaction with 4 steps 1: triethylamine; dmap / dichloromethane / 4 h / 0 °C 2: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 3: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 4: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme | |
Multi-step reaction with 4 steps 1: triethylamine; dmap / dichloromethane / 4 h / 0 °C 2: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 3: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 4: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme | |
Multi-step reaction with 4 steps 1: triethylamine; dmap / dichloromethane / 4 h / 0 °C 2: Candida rugosa lipase / di-isopropyl ether; aq. phosphate buffer / 120 h / 40 °C / Enzymatic reaction 3: Candida antarctica B lipase / toluene / 120 h / 35 °C / Enzymatic reaction 4: pyridinium chlorochromate / dichloromethane / 2 h / 40 °C View Scheme |
1-(4-fluorophenyl)ethanone
(S)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: triethylamine / N,N-dimethyl-formamide / 10 h / 100 °C / Inert atmosphere 2: iodine / toluene / 40 °C View Scheme |
What can I do for you?
Get Best Price
Molecular Structure of (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone (CAS NO.189028-93-1):
Molecular formula: C20H18FNO4
Molecular Weight: 355.36
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 63.68Å2
Index of Refraction: 1.578
Molar Refractivity: 91.64 cm3
Molar Volume: 275.8 cm3
Surface Tension: 50.6 dyne/cm
Density: 1.288 g/cm3
Flash Point: 297.6 °C
Enthalpy of Vaporization: 85.3 kJ/mol
Boiling Point: 568.4 °C at 760 mmHg
Vapour Pressure: 6.19E-13 mmHg at 25°C
Product Categories: Intermediate of ezetimibe
SMILES: Fc1ccc(cc1)C(=O)CCCC(=O)N3C(=O)OC[C@@H]3c2ccccc2
InChI: InChI=1/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
(4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone , with CAS number of 189028-93-1, can be called 2-Oxazolidinone,3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4S)- (9CI) ; 2-Oxazolidinone,3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (S)- ; (4S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one ; (S)-3-[4-(4-Fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one ; (S)-3-[5-(4-Fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one .