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Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

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Name

Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate

EINECS N/A
CAS No. 105228-46-4 Density 1.242 g/cm3
PSA 55.84000 LogP 4.60250
Solubility N/A Melting Point 205-207 °C(lit.)
Formula C24H21NO4 Boiling Point 583.5 °C at 760 mmHg
Molecular Weight 387.435 Flash Point 306.7 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 105228-46-4 (Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate) Hazard Symbols IrritantXi
Synonyms

4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2S-cis)-;benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate;4-morpholinecarboxylic acid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2S,3R)-;Benzyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate;Benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate;

Article Data 4

Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate Specification

The Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate, with the CAS registry number 105228-46-4, has the systematic name of benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate. It belongs to the following product categories: Chiral Building Blocks; Heterocyclic Building Blocks; Morpholines. And the molecular formula of the chemical is C24H21NO4.

The characteristics of Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate are as followings: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 108.07 cm3; (9)Molar Volume: 311.7 cm3; (10)Polarizability: 42.84×10-24cm3; (11)Surface Tension: 51.5 dyne/cm; (12)Density: 1.242 g/cm3; (13)Flash Point: 306.7 °C; (14)Enthalpy of Vaporization: 87.21 kJ/mol; (15)Boiling Point: 583.5 °C at 760 mmHg; (16)Vapour Pressure: 1.33E-13 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N3[C@H](c2ccccc2)[C@@H](OC(=O)C3)c4ccccc4
(2)InChI: InChI=1/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m1/s1
(3)InChIKey: HECRUWTZAMPQOS-PKTZIBPZBT

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