Product Name

  • Name

    3-PHENYL-2-(PHENYLSULFONYL)-1,2-OXAZIRIDINE

  • EINECS 1533716-785-6
  • CAS No. 63160-13-4
  • Article Data3
  • CAS DataBase
  • Density 1.398 g/cm3
  • Solubility
  • Melting Point 96-97 °C
  • Formula C13H11NO3S
  • Boiling Point 394.4 °C at 760 mmHg
  • Molecular Weight 622.739
  • Flash Point 192.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 63160-13-4 (3-PHENYL-2-(PHENYLSULFONYL)-1,2-OXAZIRIDINE)
  • Hazard Symbols
  • Synonyms 2-(Phenylsulfonyl)-3-phenyloxaziridine;2-Benzenesulfonyl-3-phenyloxaziridine;3-Phenyl-2-phenylsulfonyloxaziridine;3-Phenyl-N-phenylsulfonyloxaziridine;N-(Phenylsulfonyl)phenyloxaziridine;N-Benzenesulfonyl-3-phenyloxaziridine;NSC 268112;3-Phenyl-2-(phenylsulfonyl)-oxaziridine;
  • PSA 58.06000
  • LogP 3.34000

Synthetic route

(S)-4-benzyl-3-{3-[(2S,5R)-5-(4-methoxybenzyloxy)-1-(toluene-4-sulphonyl)piperidin-2-yl]propionyl}oxazolidin-2-one
959937-89-4

(S)-4-benzyl-3-{3-[(2S,5R)-5-(4-methoxybenzyloxy)-1-(toluene-4-sulphonyl)piperidin-2-yl]propionyl}oxazolidin-2-one

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one
63160-13-4

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one

Conditions
ConditionsYield
Stage #1: (S)-4-benzyl-3-{3-[(2S,5R)-5-(4-methoxybenzyloxy)-1-(toluene-4-sulphonyl)piperidin-2-yl]propionyl}oxazolidin-2-one With sodium hexamethyldisilazane In tetrahydrofuran at -78 - -40℃; for 0.75h;
Stage #2: With N-(benzenesulfonyl)-3-phenyloxaziridine In tetrahydrofuran at -78℃; for 2h;
Stage #1: (S)-4-benzyl-3-{3-[(2S,5R)-5-(4-methoxybenzyloxy)-1-(toluene-4-sulphonyl)piperidin-2-yl]propionyl}oxazolidin-2-one With sodium hexamethyldisilazane In tetrahydrofuran at -78 - -40℃; for 0.75h;
Stage #2: With N-(benzenesulfonyl)-3-phenyloxaziridine In tetrahydrofuran at -78℃; for 2h;
3-[(2S,5R)-5-(4-methoxybenzyloxy)-1-(toluene-4-sulphonyl)piperidin-2-yl]propionic acid
959937-90-7

3-[(2S,5R)-5-(4-methoxybenzyloxy)-1-(toluene-4-sulphonyl)piperidin-2-yl]propionic acid

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one
63160-13-4

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: triethylamine / diethyl ether; dichloromethane / 1.08 h / -78 - 0 °C
2.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / -78 °C
2.2: 3 h / -78 - 20 °C
3.1: sodium hexamethyldisilazane / tetrahydrofuran / 0.75 h / -78 - -40 °C
3.2: 2 h / -78 °C
View Scheme
Multi-step reaction with 3 steps
1.1: triethylamine / diethyl ether; dichloromethane / 1.08 h / -78 - 0 °C
2.1: n-butyllithium / tetrahydrofuran; hexane / -78 °C
2.2: 3 h / -78 - 20 °C
3.1: sodium hexamethyldisilazane / tetrahydrofuran / 0.75 h / -78 - -40 °C
3.2: 2 h / -78 °C
View Scheme
C28H37NO7S

C28H37NO7S

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one
63160-13-4

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: n-butyllithium / tetrahydrofuran; hexane / 0.75 h / -78 °C
1.2: 3 h / -78 - 20 °C
2.1: sodium hexamethyldisilazane / tetrahydrofuran / 0.75 h / -78 - -40 °C
2.2: 2 h / -78 °C
View Scheme
Multi-step reaction with 2 steps
1.1: n-butyllithium / tetrahydrofuran; hexane / -78 °C
1.2: 3 h / -78 - 20 °C
2.1: sodium hexamethyldisilazane / tetrahydrofuran / 0.75 h / -78 - -40 °C
2.2: 2 h / -78 °C
View Scheme
(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one
63160-13-4

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one

trimethoxonium tetrafluoroborate
420-37-1

trimethoxonium tetrafluoroborate

(S)-4-benzyl-3-{(S)-2-methoxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one
1005478-61-4

(S)-4-benzyl-3-{(S)-2-methoxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In dichloromethane at 0 - 20℃; for 3h; Molecular sieve;
(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one
63160-13-4

(S)-4-benzyl-3-{(S)-2-hydroxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one

(S)-4-benzyl-3-{(S)-2-methoxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one
1005478-61-4

(S)-4-benzyl-3-{(S)-2-methoxy-3-[(2S,5R)-5-(4-methoxy-benzyloxy)-1-(toluene-4-sulfonyl)-piperidin-2-yl]-propionyl}-oxazolidin-2-one

Conditions
ConditionsYield
With trimethoxonium tetrafluoroborate; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In dichloromethane at 0 - 20℃; Molecular sieve;

3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine Specification

The 3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine, with the CAS registry number 63160-13-4, is also known as Oxaziridine, 3-phenyl-2-(phenylsulfonyl)-. This chemical's molecular formula is C13H11NO3S and molecular weight is 261.30. Its systematic name is called 3-phenyl-2-(phenylsulfonyl)oxaziridine.

Physical properties of 3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.654; (7)Molar Refractivity: 68.47 cm3; (8)Molar Volume: 186.7 cm3; (9)Surface Tension: 56.5 dyne/cm; (10)Density: 1.398 g/cm3; (11)Flash Point: 192.3 °C; (12)Enthalpy of Vaporization: 64.44 kJ/mol; (13)Boiling Point: 394.4 °C at 760 mmHg; (14)Vapour Pressure: 1.99E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N2OC2c1ccccc1)c3ccccc3
(2)InChI: InChI=1/C13H11NO3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13H
(3)InChIKey: MKHGVMIXRPGHOO-UHFFFAOYAX

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View