CAS No.79868-79-4,Benzeneethanol, b-amino-a,a-diphenyl-, (bR)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	79868-79-4
Name:	Benzeneethanol, b-amino-a,a-diphenyl-, (bR)-
Article Data:	15

Formula:	C₂₀H₁₉NO
Molecular Weight:	289.377
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;
Density:	1.162 g/cm³
Melting Point:	130-131oC
Boiling Point:	456 °C at 760 mmHg
Flash Point:	229.6 °C
PSA:	46.25000
LogP:	4.32280

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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