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Benzeneethanol, b-amino-a,a-diphenyl-, (bR)-

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Name

Benzeneethanol, b-amino-a,a-diphenyl-, (bR)-

EINECS N/A
CAS No. 79868-79-4 Density 1.162 g/cm3
PSA 46.25000 LogP 4.32280
Solubility N/A Melting Point 130-131oC
Formula C20H19NO Boiling Point 456 °C at 760 mmHg
Molecular Weight 289.377 Flash Point 229.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 79868-79-4 (Benzeneethanol, b-amino-a,a-diphenyl-, (bR)-) Hazard Symbols N/A
Synonyms

Benzeneethanol,b-amino-a,a-diphenyl-, (R)-;(2R)-2-Amino-1,1,2-triphenylethanol;(R)-(+)-1,1,2-Triphenyl-2-aminoethanol;(R)-2-Amino-1,1,2-triphenylethanol;

Article Data 15

Benzeneethanol, b-amino-a,a-diphenyl-, (bR)- Specification

The CAS register number of Benzeneethanol, b-amino-a,a-diphenyl-, (bR)- is 79868-79-4. It also can be called as (R)-2-Amino-1,1,2-triphenylethanol and the systematic name about this chemical is (2R)-2-amino-1,1,2-triphenylethanol. The molecular formula about this chemical is C20H19NO and the molecular weight is 289.37.

Physical properties about Benzeneethanol, b-amino-a,a-diphenyl-, (bR)- are: (1)ACD/LogP: 4.29; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 8.54; (6)ACD/KOC (pH 5.5): 4.54; (7)ACD/KOC (pH 7.4): 40.92; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 89.33 cm3; (14)Molar Volume: 248.8 cm3; (15)Polarizability: 35.41x10-24cm3; (16)Surface Tension: 51.4 dyne/cm; (17)Density: 1.162 g/cm3; (18)Flash Point: 229.6 °C; (19)Enthalpy of Vaporization: 75.43 kJ/mol; (20)Boiling Point: 456 °C at 760 mmHg; (21)Vapour Pressure: 4.17E-09 mmHg at 25 °C.

Preparation: this chemical can be prepared by phenylmagnesium bromide and (R)-amino-phenyl-acetic acid methyl ester; hydrochloride. This reaction will need solvent of diethyl ether. The reaction time is 7 hours with ambient temperature. The yield is about 73%.

Benzeneethanol, b-amino-a,a-diphenyl-, (bR)- can be prepared by phenylmagnesium bromide and (R)-amino-phenyl-acetic acid methyl ester; hydrochloride.

Uses of Benzeneethanol, b-amino-a,a-diphenyl-, (bR)-: it can be used to produce (4R)-4,5,5-triphenyl-2-oxazolidinone with chlorocarbonic acid trichloromethyl ester. This reaction will need reagent of Et3N and solvent of CH2Cl2. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 99%.

Benzeneethanol, b-amino-a,a-diphenyl-, (bR)- can be used to produce (4R)-4,5,5-triphenyl-2-oxazolidinone with chlorocarbonic acid trichloromethyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)(c2ccccc2)[C@@H](c3ccccc3)N
(2)InChI: InChI=1/C20H19NO/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,22H,21H2/t19-/m1/s1
(3)InChIKey: ZQNFUXDRYQQYAQ-LJQANCHMBU
(4)Std. InChI: InChI=1S/C20H19NO/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,22H,21H2/t19-/m1/s1
(5)Std. InChIKey: ZQNFUXDRYQQYAQ-LJQANCHMSA-N

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