Name: (4R,5S)-(+)-CIS-4,5-DIPHENYL-2-OXAZOLIDINONE
SKU: 86286-50-2

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Basic Information

Molecular Structure:
CAS No.:	86286-50-2
Name:	(4R,5S)-(+)-CIS-4,5-DIPHENYL-2-OXAZOLIDINONE
Article Data:	29

Formula:	C₁₅H₁₃NO₂
Molecular Weight:	239.274
Synonyms:	2-Oxazolidinone,4,5-diphenyl-, (4R-cis)-;(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone;(4R,5S)-4,5-Diphenyloxazolidin-2-one;
Density:	1.192 g/cm³;
Melting Point:	227-230 °C(lit. )
Boiling Point:	466.6 °C at 760 mmHg
Flash Point:	236 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	38.33000
LogP:	3.53760

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Specification

The 2-Oxazolidinone, 4, 5-diphenyl-, (4R, 5S)-, with the CAS registry number of 86286-50-2, is also known as (4R, 5S)-(+)-cis-4, 5-Diphenyl-2-oxazolidinone and (4R, 5S)-4, 5-Diphenyl-2-oxazolidinone. It belongs to the product categories of Benzene Derivatives; Asymmetric Synthesis; Chiral Auxiliaries; Oxazolidinone Derivatives. This chemical's molecular formula is C₁₅H₁₃NO₂ and molecular weight is 239.27. What's more, its systematic name is called (4R, 5S)-4, 5-Diphenyl-1, 3-oxazolidin-2-one. In addition, it should be stored in dry, cool and airtight place. Ensure that the workplace has good ventilation and air exhaust device.

Physical properties about 2-Oxazolidinone, 4, 5-diphenyl-, (4R, 5S)- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.73; (6)ACD/BCF (pH 7.4): 186.72; (7)ACD/KOC (pH 5.5): 1470.08; (8)ACD/KOC (pH 7.4): 1469.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 67.8 cm³; (15)Molar Volume: 200.6 cm³; (16)Polarizability: 26.88×10^-24 cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.192 g/cm³; (19)Flash Point: 236 °C; (20)Enthalpy of Vaporization: 72.84 kJ/mol; (21)Boiling Point: 466.6 °C at 760 mmHg; (22)Vapour Pressure: 6.98E-09 mmHg at 25°C; (23) Melting Point: 227-230 °C(lit. ).

Preparation: this chemical is prepared by reaction of 2-Azido-1, 2-diphenyl-ethanol with Carbon dioxide. The reaction needs reagents NaH and Me₃P. Meanwhile, it needs solvent Tetrahydrofuran. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C3O[C@@H](c1ccccc1)[C@@H](c2ccccc2)N3
(2) InChI: InChI=1/C15H13NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m1/s1
(3) InChIKey: LTENIVFVXMCOQI-KGLIPLIRBZ