Name: (S)-(-)-2-AMINO-1,1,3-TRIPHENYL-1-PROPANOL
SKU: 79868-78-3

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Basic Information

Molecular Structure:
CAS No.:	79868-78-3
Name:	(S)-(-)-2-AMINO-1,1,3-TRIPHENYL-1-PROPANOL
Article Data:	27

Formula:	C₂₁H₂₁NO
Molecular Weight:	303.404
Synonyms:	(S)-2-Amino-1,1,3-triphenyl-1-propanol;(βS)-β-amino-α,α-diphenylbenzenepropanol;Benzenepropanol,β-amino-α,α-diphenyl-, (S)-;(-)-2-Amino-1,1,3-triphenyl-1-propanol;(2S)-2-Amino-2-benzyl-1,1-diphenylethanol;
Density:	1.145 g/cm³
Melting Point:	139-144 °C(lit.)
Boiling Point:	502.3 °C at 760 mmHg
Flash Point:	257.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.25000
LogP:	4.19280

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Specification

The Benzenepropanol, β-amino-α,α-diphenyl-, (βS)- is an organic compound with the formula C₂₁H₂₁NO. The systematic name of this chemical is (2S)-2-Amino-1,1,3-triphenylpropan-1-ol. With the CAS registry number 79868-78-3, it is also named as (S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol. The categories of the product are Amino Alcohols; Chiral Building Blocks; Organic Building Blocks. Besides, its molecular weight is 303.40.

The physical properties of Benzenepropanol, β-amino-α,α-diphenyl-, (βS)- are: (1)ACD/LogP: 4.36 ; (2)ACD/LogD (pH 5.5): 2.09; (3)ACD/LogD (pH 7.4): 3.79; (4)ACD/BCF (pH 5.5): 6.59; (5)ACD/BCF (pH 7.4): 328.17; (6)ACD/KOC (pH 5.5): 30.55; (7)ACD/KOC (pH 7.4): 1521.37; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 12.47 Å²; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 93.92 cm³; (14)Molar Volume: 264.9 cm³; (15)Polarizability: 37.23×10^-24 cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.145 g/cm³; (18)Flash Point: 257.6 °C; (19)Enthalpy of Vaporization: 81.22 kJ/mol; (20)Boiling Point: 502.3 °C at 760 mmHg; (21)Vapour Pressure: 6.57E-11 mmHg at 25 °C.

Preparation: this chemical can be prepared by Phenylmagnesium bromide and L-Phenylalanine methyl ester; hydrochloride. This reaction is a kind of Addition. This reaction will need solvent tetrahydrofuran. The reaction temperature is 0 - 10 °C. The yield is about 56%.

Benzenepropanol, β-amino-α,α-diphenyl-, (βS)- can be obtained by Phenylmagnesium bromide and L-Phenylalanine methyl ester; hydrochloride

Uses of Benzenepropanol, β-amino-α,α-diphenyl-, (βS)-: it and 2-Hydroxy-benzaldehyde can be used to produce 2-[(1-Benzyl-2-hydroxy-2,2-diphenyl-ethylimino)-methyl]-phenol. It will need reagent MgSO₄ solvent methanol with reaction time of 1 hour. The yield is about 50%.

Benzenepropanol, β-amino-α,α-diphenyl-, (βS)- and 2-Hydroxy-benzaldehyde can be used to produce 2-[(1-Benzyl-2-hydroxy-2,2-diphenyl-ethylimino)-methyl]-phenol

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)(c2ccccc2)[C@@H](N)Cc3ccccc3
(2)InChI: InChI=1/C21H21NO/c22-20(16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16,22H2/t20-/m0/s1
(3)InChIKey: KBXBDYRXZGBOIH-FQEVSTJZBI
(4)Std. InChI: InChI=1S/C21H21NO/c22-20(16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16,22H2/t20-/m0/s1
(5)Std. InChIKey: KBXBDYRXZGBOIH-FQEVSTJZSA-N