CAS No.112741-50-1,tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112741-50-1
Name:	tert-Butyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
Article Data:	4

Formula:	C₂₁H₂₃NO₄
Molecular Weight:	353.418
Synonyms:	(5S,6R)-4-tert-Butoxycarbonyl-5,6-diphenylmorpholin-2-one;(2S,3R)-tert-Butyl 6-oxo-2,3- diphenylmorpholine-4-carboxylate;4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, 1,1-dimethylethyl ester, (2S-cis)-;
EINECS:	627-150-5
Density:	1.175 g/cm³
Melting Point:	206 °C (dec.)(lit.)
Boiling Point:	509.6 °C at 760 mmHg
Flash Point:	262 °C
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	55.84000
LogP:	4.20080

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Specification

The IUPAC name of 4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, 1,1-dimethylethyl ester, (2S,3R)- is tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate. With the CAS registry number 112741-50-1, it is also named as (2S,3R)-tert-Butyl 6-oxo-2,3- diphenylmorpholine-4-carboxylate. The product's categories are API intermediates; Chiral Building Blocks; Heterocyclic Building Blocks; Morpholines. Besides, it is white powder, which should be stored in sealed container in a cool, dry place at 2-8 °C. And you should ensure that the workplaces have good ventilated or exhaust device.

The other characteristics of 4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, 1,1-dimethylethyl ester, (2S,3R)- can be summarized as: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 5; (4)H bond donors: 0; (5)Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.84 Å²; (7)Index of Refraction: 1.561; (8)Molar Refractivity: 97.45 cm³; (9)Molar Volume: 300.6 cm³; (10)Polarizability: 38.63×10^-24cm³; (11)Surface Tension: 44.8 dyne/cm; (12)Density: 1.175 g/cm³; (13)Flash Point: 262 °C; (14)Melting point: 206 °C; (15)alpha: 86 °(c=5.5 in methylene chloride); (16)Enthalpy of Vaporization: 78.02 kJ/mol; (17)Boiling Point: 509.6 °C at 760 mmHg; (18)Vapour Pressure: 1.67E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable gloves and eye/face protection when use it. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C2O[C@@H](c1ccccc1)[C@H](N(C(=O)OC(C)(C)C)C2)c3ccccc3
(2)InChI:InChI=1/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1
(3)InChIKey:MRUKRSQUUNYOFK-MOPGFXCFBO
(4)Std. InChI:InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m1/s1
(5)Std. InChIKey:MRUKRSQUUNYOFK-MOPGFXCFSA-N