| Identification | Back Directory | [Name]
HYDROXYPIVALIC ACID METHYL ESTER | [CAS]
14002-80-3 | [Synonyms]
AI3-28360
METHYL HYDROXYPIVALATE
methyl 3-hydroxypivalate
HYDROXYPIVALIC ACID METHYL ESTER
HYDROXY PIVALIC ACID METHYL ESTERS
METHYL 2,2-DIMETHYL-3-HYDROXYPROPIONATE
methyl 3-hydroxy-2,2-dimethylpropanoate
methyl 3-hydroxy-2,2-dimethyl-propanoate
Methyle2, 2-dimethyl-3-hydroxypropionate
Methyl 2,2-diMethyl-3-hydroxypropionate 98%
Methyl 2,2-dimethyl-3-hydroxypropanoate 98%
Methyl 2,2-dimethyl-3-hydroxypropionate,98+%
2,2-DIMETHYL-3-HYDROXYPROPIONIC ACID METHYL ESTER
2,2-Dimethyl-3-hydroxypropanoic acid methyl ester
3-Hydroxy-2,2-dimethylpropionic acid methyl ester
2,2-Dimethyl-3-hydroxypropionic Acid Methyl Ester
Hydroxypivalic Acid Methyl Ester
Methyl 2,2-Dimethyl-3-hydroxypropionate | [EINECS(EC#)]
237-805-3 | [Molecular Formula]
C6H12O3 | [MDL Number]
MFCD00009707 | [MOL File]
14002-80-3.mol | [Molecular Weight]
132.16 |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless liquid | [Melting point ]
-16 °C | [Boiling point ]
177-178 °C740 mm Hg(lit.)
| [density ]
1.036 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.428(lit.)
| [Fp ]
169 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [Water Solubility ]
Soluble in water | [form ]
Liquid | [pka]
14.21±0.10(Predicted) | [color ]
Clear colorless | [InChI]
InChI=1S/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3 | [InChIKey]
KJRFTNVYOAGTHK-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C(C)(C)CO |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless liquid | [Synthesis Reference(s)]
Journal of the American Chemical Society, 85, p. 1460, 1963 DOI: 10.1021/ja00893a017 | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 41, p. 585, 1976 DOI: 10.1021/jo00865a049 | [General Description]
Kinetics of decomposition of methyl 2,2-dimethyl-3-hydroxypropionate to methyl isobutyrate and formaldehyde in a static system has been investigated. | [Synthesis]
3-Hydroxy-2,2-dimethylpropionic acid (15.00 g, 127.0 mmol) was dissolved in methanol (200 mL), concentrated sulfuric acid (13.5 g, 254 mmol) was added, and the reaction was stirred under reflux conditions for 16 hours. After completion of the reaction, the reaction mixture was concentrated under vacuum, diluted with ethyl acetate (100 mL) and washed sequentially with water (2 x 50 mL), saturated aqueous sodium bicarbonate solution (50 mL), water (50 mL) and brine (50 mL). The organic phase was dried with anhydrous sodium sulfate and the organic solvent was subsequently removed under vacuum to afford methyl 3-hydroxy-2,2-dimethylpropionate (6.4 g, 57.2% yield) as a colorless liquid.1H NMR (400 MHz, DMSO-d6) δ: 3.71 (s, 3H), 3.56 (s, 2H), 2.05-2.04 (m, 1H), 1.19 ( s, 6H). | [References]
[1] Patent: WO2014/145023, 2014, A1. Location in patent: Paragraph 0390
[2] Bulletin de la Societe Chimique de France, 1904, vol. <3>31, p. 129 |
|
|