| Identification | Back Directory | [Name]
(αS)-α-Isopropylbenzeneacetic acid | [CAS]
13490-69-2 | [Synonyms]
(2S)-3-Methyl-2-phenylbutyric acid
(S)-2-Phenyl-3-methylbutanoic acid
(αS)-α-Isopropylbenzeneacetic acid
(S)-3-Methyl-2-phenylbutanoic acid
(αS)-α-Isopropylbenzeneacetic acid
(2S)-2-Phenyl-3-methylbutanoic acid
[S,(+)]-3-Methyl-2-phenylbutyric acid
(αS)-α-(1-Methylethyl)benzeneacetic acid
Benzeneacetic acid, α-(1-methylethyl)-, (αS)-
(alphaS)-alpha-(1-Methylethyl)benzeneacetic acid
Benzeneacetic acid, .alpha.-(1-methylethyl)-, (.alpha.S)- | [Molecular Formula]
C11H14O2 | [MDL Number]
MFCD00167435 | [MOL File]
13490-69-2.mol | [Molecular Weight]
178.23 |
| Chemical Properties | Back Directory | [Melting point ]
86-88℃ | [Boiling point ]
105 °C(Press: 0.1 Torr) | [density ]
1.063 | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
4.26±0.10(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of (S)-3-methyl-2-phenylbutyric acid from 3-methyl-2-phenylbutyric acid: 2-isopropylphenylacetic acid (8.91 g), (+)-α-phenylethylamine (6.45 mL), and 63% aqueous ethanol solution (193 mL) were mixed, heated and refluxed, then slowly cooled. The precipitated salt was recrystallized three times from 63% aqueous ethanol solution. Subsequently, the salt was treated with 10% sulfuric acid at 0 °C, and the organic layer was extracted with ethyl acetate, dried and concentrated to give 3.52 g (39% yield) of (R)-(-)-2-isopropylphenylacetic acid with a specific optical rotation [α]25D of -58.6° (CHCl3, c=0.02). | [References]
[1] European Journal of Medicinal Chemistry, 2017, vol. 140, p. 42 - 51
[2] Tetrahedron, 1971, vol. 27, p. 1173 - 1184
[3] Chemical Communications, 2006, # 34, p. 3600 - 3602 |
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