D-(-)-MANDELIC ACID BENZYL ESTER
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D-(-)-MANDELIC ACID BENZYL ESTER
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CAS No:
97415-09-3
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Formula:
C15H14O3
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Chemical Name:
D-(-)-MANDELIC ACID BENZYL ESTER
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Synonyms:
(R)-BENZYL MANDELATE;D-(-)-MANDELIC ACID BENZYL ESTER;BENZYL D-(-)-MANDELATE;BENZYL (R)-(-)-MANDELATE;ALPHA-HYDROXY-BENZENEACETIC ACID, PHENYLMETHYL ESTER;benzyl (2R)-2-hydroxy-2-phenylacetate;Benzyl-(R)-Mandelate / Benzyl-(D)-Mandelate;(R)-Benzyl 2-hydroxy-2-phenylacetate
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CAS No:
D-(-)-MANDELIC ACID BENZYL ESTER Basic Attributes
242.27
242.094299
1312995-182-4
DTXSID50357490
White to Almost white
29181990
Characteristics
46.5
2.7
1.204
104-107 °C(lit.)
387℃
163℃
-34 ° (C=1, CH3CN)
12.15±0.20(Predicted)
Sealed in dry,Room Temperature
Safety Information
NONH for all modes of transport
3
24/25
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
D-(-)-MANDELIC ACID BENZYL ESTER Use and Manufacturing
Benzyl (R)-(-)-mandelate can be employed as reactant to synthesize:(S)-α-Hydroxy-N-(2-phenylethyl)benzenepropanamide (α-hydroxyamides) by enzyme catalyzed amidation reaction.Optically pure (R)- monomethyl esters of 3-[(tert-butyldimethylsilyl)oxy]pentanedioic acid, which is employed in the preparation of HMG-CoA reductase inhibitors.O-Ibuprofenylmandelic acid via acylation reaction with optically active ibuprofen and subsequent hydrogenation.Benzyl (R)-2-fluoro-2-phenylacetate via deoxyfluorination of alcohols using AlkylFluor.It can also be used to prepare HMG-CoA reductase inhibitors.
D-(-)-Mandelic Acid Benzyl Ester is a useful reagent for the preparation of a pharmaceutical composition for treating atopic dermatitis.
Computed Properties
Molecular Weight:242.27
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:242.094294304
Monoisotopic Mass:242.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:253
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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