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

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Name

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

EINECS
CAS No. 100516-54-9 Density 1.242g/cm3
Solubility Melting Point 205-207 °C(lit.)
Formula C24H21NO4. Boiling Point 583.5 °C at 760 mmHg
Molecular Weight 387.43 Flash Point 306.7 °C
Transport Information Appearance
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 100516-54-9 (4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2R,3S)-) Hazard Symbols IrritantXi
Synonyms

4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2R-cis)-;William's lactone;

 

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

The Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate with the CAS number 100516-54-9 is also called 4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2R,3S)-. Its molecular formula is C24H21NO4. This chemical belongs to the following product categories: (1)Chiral Building Blocks; (2)Heterocyclic Building Blocks; (3)Morpholines.

The properties of the chemical are: (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: 55.84Å2; (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)Enthalpy of Vaporization: 87.21 kJ/mol; (13)Vapour Pressure: 1.33×10-13 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into 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+/m0/s1
(3)InChIKey: HECRUWTZAMPQOS-XZOQPEGZBF

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