The Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester,(αR)-, with the CAS registry number 37763-23-8, is also known as (R)-Methyl (4-hydroxyphenyl)glycinate. Its EINECS number is 253-657-2. This chemical's molecular formula is C9H11NO3 and formula weight is 181.19. What's more, its IUPAC name is methyl (2R)-amino(4-hydroxyphenyl)ethanoate.
Physical properties of Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester,(aR)- are: (1)ACD/LogP: 0.40; (2)ACD/LogD (pH 5.5): -0.83; (3)ACD/LogD (pH 7.4): 0.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.33; (7)ACD/KOC (pH 7.4): 32.39; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 47.62 cm3; (14)Molar Volume: 145 cm3; (15)Surface Tension: 52.7 dyne/cm; (16)Density: 1.248 g/cm3; (17)Flash Point: 137.2 °C; (18)Enthalpy of Vaporization: 56.52 kJ/mol; (19)Boiling Point: 303.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000527 mmHg at 25°C.
Preparation: this chemical can be prepared by (R)-(-)-2-(4-hydroxyphenyl)glycine, methanol at the temperature of 25°C. This reaction will need reagent TMSCl with the reaction time of 15 hours. It's a reaction of esterification. The yield is about 98%.
Uses of Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester,(αR)-: it can be used to produce (R)-N-BOC-4-hydroxyphenylglycine methyl ester at the temperature of 25°C. It will need reagent K2CO3 and solvent dioxane, H2O with the reaction time of 4 hours. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@H](N)C1CCC(O)CC1
(2)InChI: InChI=1/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3/t8-/m1/s1
(3)InChIKey: SZBDOFWNZVHVGR-MRVPVSSYBW
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