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(S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol

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Name

(S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol

EINECS N/A
CAS No. 79868-78-3 Density 1.145 g/cm3
PSA 46.25000 LogP 4.19280
Solubility N/A Melting Point 139-144 °C(lit.)
Formula C21H21NO Boiling Point 502.3 °C at 760 mmHg
Molecular Weight 303.404 Flash Point 257.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 79868-78-3 ((S)-(-)-2-AMINO-1,1,3-TRIPHENYL-1-PROPANOL) Hazard Symbols IrritantXi
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;

Article Data 27

(S)-(-)-2-Amino-1,1,3-triphenyl-1-propanol 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

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