CAS No.109120-55-0,(2R,3S)-3-PHENYLSERINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109120-55-0
Name:	(2R,3S)-3-PHENYLSERINE
Article Data:	45

Formula:	C₉H₁₁NO₃
Molecular Weight:	181.191
Synonyms:	D-Phenylalanine,β-hydroxy-, threo-;(2R,3S)-3-Phenylserine;D-threo-3-Phenylserine;D-threo-β-Phenylserine;threo-β-Hydroxy-D-phenylalanine;
Density:	1.335 g/cm³
Melting Point:	182-184℃
Boiling Point:	398 ºC at 760 mmHg
Flash Point:	194.5 ºC
Solubility:	16.64 mg/mL in water at 25 ºC
PSA:	83.55000
LogP:	0.83220

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Specification

The (2R,3S)-2-Amino-3-hydroxy-3-phenylpropionic acid, with the CAS registry number 109120-55-0, is also known as D-threo-β-Phenylserine. This chemical's molecular formula is C₉H₁₁NO₃ and molecular weight is 181.19. What's more, its systematic name is (betaS)-beta-hydroxy-D-phenylalanine.

Physical properties of (2R,3S)-2-Amino-3-hydroxy-3-phenylpropionic acid are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 38.77 Å²; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 47.03 cm³; (11)Molar Volume: 135.6 cm³; (12)Surface Tension: 66.3 dyne/cm; (13)Density: 1.335 g/cm³; (14)Flash Point: 194.5 °C; (15)Enthalpy of Vaporization: 68.4 kJ/mol; (16)Boiling Point: 398 °C at 760 mmHg; (17)Vapour Pressure: 4.75E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by (2S,4R,4'S)-2-(tert-Butyl)-4-[hydroxy(phenyl)methyl]-5-oxooxazolidin-3-carbonsaeure-bezylester at the ambient temperature. This reaction will need reagent H₂ and solvent ethyl acetate with the reaction time of 3 hours. This reaction will also need catalyst Pd/C. The yield is about 94%.

Uses of (2R,3S)-2-Amino-3-hydroxy-3-phenylpropionic acid: it can be used to produce 4-carbamoyl-2,2-dimethyl-5-phenyl-oxazolidine-3-carboxylic acid tert-butyl ester at the temperature of 0 - 20 °C. It will need reagent Et₃N and solvent dioxane and H₂O. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)[C@@H](O)c1ccccc1
(2)InChI: InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m1/s1
(3)InChIKey: VHVGNTVUSQUXPS-SFYZADRCSA-N