| Identification | More | [Name]
(S)-(+)-Methyl mandelate | [CAS]
21210-43-5 | [Synonyms]
(+)-L-MANDELIC ACID METHYL ESTER
L-(+)-MANDELIC ACID METHYL ESTER
(+)-METHYL L-MANDELATE
METHYL L-(+)-MANDELATE
(+)-METHYL (S)-ALPHA-HYDROXY-PHENYL ACETATE
METHYL (S)-ALPHA-HYDROXYPHENYLACETATE
METHYL (S)-(+)-MANDELATE
(S)-MANDELIC ACID METHYL ESTER
(S)-(+)-METHYL MANDELATE
METHYL (S)-(+)-MANDELATE, 99+%
(S)-(+)-alpha-Hydroxyphenylaceticacidmethylester~(S)-(+)-Mandelicacidmethylester
(S)-(+)-ALPHA-HYDROXYPHENYLACETIC ACID METHYL ESTER
(S)-(+)-Methyl mandelate, 98+%
Benzeneacetic acid, .alpha.-hydroxy-, methyl ester, (.alpha.S)-
(+)-methyl (s)-α-hydroxy-phenyl acetate
(+)-methyl (s)-α-hydroxy-phenylacetate
(s)-(+)-à-hydroxyphenylacetic acid methyl ester
(+)-Methyl (S)-alpha-hydroxyphenylacetate
(+)-Methyl (S)-α-hydroxy-phenylacetate, S(+)-Mandelic acid methyl ester
(+)-Methyl (S)-α-hydroxyphenylacetate, (+)-Methyl L-mandelate | [EINECS(EC#)]
145-896-5 | [Molecular Formula]
C9H10O3 | [MDL Number]
MFCD00064246 | [Molecular Weight]
166.17 | [MOL File]
21210-43-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline powder | [Melting point ]
56-58 °C
| [alpha ]
142 º (c=2, MeOH) | [Boiling point ]
138 °C / 16mmHg | [density ]
1.1097 (rough estimate) | [refractive index ]
1.4371 (estimate) | [Fp ]
>110°C | [storage temp. ]
2-8°C
| [solubility ]
Chloroform (Sparingly), Methanol (Sparingly) | [form ]
Solid | [pka]
12.19±0.20(Predicted) | [color ]
White to Off-White | [Optical Rotation]
[α]20/D +144°, c = 1 in methanol | [Detection Methods]
HPLC,NMR,Rotation | [BRN ]
2614741 | [InChI]
1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1 | [InChIKey]
ITATYELQCJRCCK-QMMMGPOBSA-N | [SMILES]
COC(=O)[C@@H](O)c1ccccc1 | [CAS DataBase Reference]
21210-43-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P305+P351+P338 | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29181990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline powder | [Uses]
Methyl (S)-(+)-Mandelate (cas# 21210-43-5) is a compound useful in organic synthesis. | [General Description]
Optically active building block. | [Synthesis]
GENERAL METHOD: To a stirred solution of 0.1 mol α-acetoxymandelic acid or α-hydroxymandelic acid dissolved in 200 mL of anhydrous methanol at -30°C was slowly added 8.1 mL (13.05 g, 0.11 mol) of thionyl chloride. The reaction solution was continued to be stirred at -30°C for 15 minutes and then moved to room temperature for 48 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure. The residue was adjusted to pH 9 with NaHCO3 solution and subsequently extracted with ether (5 x 50 mL) and the organic phase was dried with MgSO4. After evaporation of the solvent, the resulting (S)-2-hydroxy-2-phenylacetic acid methyl ester crude was purified by either reduced pressure distillation or petroleum ether-toluene mixed solvent crystallization. | [References]
[1] Patent: JP2005/120020, 2005, A. Location in patent: Page/Page column 9
[2] Angewandte Chemie, International Edition, 2009, vol. 48, # 25, p. 4605 - 4609
[3] Angewandte Chemie, International Edition, 2014, vol. 53, # 37, p. 9860 - 9864,5
[4] Angewandte Chemie, 2014, vol. 126, # 37, p. 10018 - 10022,5
[5] Chemistry Letters, 1997, # 1, p. 55 - 56 |
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