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Ethyl (2R)-hydroxy(phenyl)acetate

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Ethyl (2R)-hydroxy(phenyl)acetate

EINECS 212-263-0
CAS No. 10606-72-1 Density 1.148 g/cm3
PSA 46.53000 LogP 1.28310
Solubility N/A Melting Point 33-34 °C(lit.)
Formula C10H12O3 Boiling Point 253.999 °C at 760 mmHg
Molecular Weight 180.203 Flash Point 118.069 °C
Transport Information N/A Appearance liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 10606-72-1 (ETHYL (R)-(-)-MANDELATE) Hazard Symbols N/A

(R)-α-Hydroxybenzeneacetic acid ethyl ester;(αR)-α-Hydroxybenzeneacetic acid ethyl ester;D-(-)-Ethylmandelate;D-(-)-Mandelic acid ethyl ester;Ethyl (R)-mandelate;Ethyl (R)-α-hydroxybenzeneacetate;Benzeneaceticacid, α-hydroxy-, ethyl ester, (R)-;Mandelic acid, ethyl ester, (R)- (8CI);(-)-Ethyl mandelate;(-)-Mandelic acidethyl ester;(-)-α-Hydroxybenzeneaceticacid ethyl ester;(R)-(-)-Ethyl mandelate;(R)-(-)-Mandelic acid ethyl ester;(R)-Ethyl (hydroxy)(phenyl)acetate;

Article Data 113

Ethyl (2R)-hydroxy(phenyl)acetate Specification

The Benzeneacetic acid, α-hydroxy-, ethyl ester, (αR)-, with the CAS registry number 10606-72-1, is also known as (R)-(-)-Ethyl mandelate. It belongs to the product categories of Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry; Chiral Building Blocks; Esters; Organic Building Blocks. This chemical's molecular formula is C10H12O3 and formula weight is 180.20. What's more, its IUPAC name is ethyl (2R)-2-hydroxy-2-phenylacetate.

Physical properties of Benzeneacetic acid, α-hydroxy-, ethyl ester, (αR)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.528; (8)Molar Refractivity: 48.38 cm3; (9)Molar Volume: 157 cm3; (10)Surface Tension: 43.6 dyne/cm; (11)Density: 1.147 g/cm3; (12)Flash Point: 118.1 °C; (13)Enthalpy of Vaporization: 51.92 kJ/mol; (14)Boiling Point: 254 °C at 760 mmHg; (15)Vapour Pressure: 0.00918 mmHg at 25°.

Preparation: this chemical can be prepared by (R)-hydroxy-phenyl-acetic acid, ethanol by heating. This reaction will need reagent BF3·Et2O with the reaction time of 1 hour. It's a reaction of esterification. The yield is about 98%.

Uses of Benzeneacetic acid, α-hydroxy-, ethyl ester, (αR)-: it can be used to produce dimethylthiocarbamoylsulfanyl-phenyl-acetic acid ethyl ester at the ambient temperature. It will need reagent diethyl azodicarboxylate, triphenylphosphine and solvent toluene with the reaction time of 24 hours. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C1=CC=CC=C1)O
(2)Isomeric SMILES: CCOC(=O)[C@@H](C1=CC=CC=C1)O
(3)InChI: InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m1/s1

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