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| CAS No.: | 2110-78-3 |
|---|---|
| Name: | Methyl 2-hydroxyisobutyrate |
| Molecular Structure: | |
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| Formula: | C5H10O3 |
| Molecular Weight: | 118.133 |
| Synonyms: | Lacticacid, 2-methyl-, methyl ester (6CI,7CI,8CI);2-Hydroxy-2-methylpropionic acidmethyl ester;2-Hydroxyisobutyric acid methyl ester;Methyl2-hydroxy-2-methylpropanoate;Methyl 2-hydroxy-2-methylpropionate;Methyl 2-methyl-2-hydroxypropionate;Methyl2-methyllactate;Methyl a-hydroxyisobutyrate;NSC 7305;NSC 9381;a-Hydroxyisobutyric acid methyl ester; |
| EINECS: | 218-301-2 |
| Density: | 1.053 g/cm3 |
| Boiling Point: | 134.7 °C at 760 mmHg |
| Flash Point: | 36.8 °C |
| Solubility: | 1000g/L at 20℃ |
| Appearance: | clear colourless liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3272 3/PG 3 |
| PSA: | 46.53000 |
| LogP: | -0.06970 |
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| Conditions | Yield |
|---|---|
| zirconium(IV) oxide at 190℃; under 759.826 Torr; for 24h; Product distribution / selectivity; | 95% |
| With yttria-stabilized zirconia at 220℃; under 45004.5 Torr; Catalytic behavior; Concentration; Reagent/catalyst; Temperature; | 34.9% |
| With lead(IV) tetraacetate at 200℃; for 1h; in a sealed ampul; | 31% |
| Conditions | Yield |
|---|---|
| With 4-(dihydroxyboranyl)-1-methylpyridin-1-ium iodide for 15h; Heating; | 92% |
| With zinc(II) chloride at 60℃; for 6h; sealed tube; | 83% |
| With thionyl chloride | 81% |
- 67-56-1
methanol
- 49562-37-0
2-methyl-2-sulphatopropionamide
- 13027-88-8
2-hydroxyisobutyramide
A
- 594-61-6
2-methyllactic acid
B
- 2110-78-3
methyl 2-hydroxy-2-methylpropionate
| Conditions | Yield |
|---|---|
| With water; acetic acid at 115℃; under 1875.19 Torr; for 1h; Product distribution / selectivity; | A 19.2% B 81.5% |
- 31469-15-5
1-methoxy-2-methyl-1-trimethylsiloxy-1-propene
- 2110-78-3
methyl 2-hydroxy-2-methylpropionate
| Conditions | Yield |
|---|---|
| Stage #1: 1-methoxy-2-methyl-1-trimethylsiloxy-1-propene With pyridine; methyltrioxorhenium(VII) In acetic acid; acetonitrile at 0 - 20℃; Oxidation; Stage #2: With potassium fluoride In methanol for 1h; Substitution; Further stages.; | 71% |
| With 3-chloro-benzenecarboperoxoic acid 1.) hexane, RT, 30 min, 2.) Et3NF, 30 min; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With oxygen In N,N-dimethyl-formamide at 20℃; electrolysis; | 40% |
| With tert.-butylhydroperoxide at 150℃; | |
| Multi-step reaction with 2 steps 1: 83 percent / 1.) LDA / 1.) THF, -78 deg C, 10 min, 2.) -> RT, 3 h 2: MCPBA / 1.) hexane, RT, 30 min, 2.) Et3NF, 30 min View Scheme |
| Conditions | Yield |
|---|---|
| With sulfuric acid; hydroquinone Zugeben von trocknem Na2SO4 und Destillieren bis auf 225-240grad; | |
| With sulfuric acid; hydroquinone Zugeben von trocknem Na2SO4 und Destillieren bis auf 225-240grad; |
| Conditions | Yield |
|---|---|
| at 445 - 455℃; durch ein mit Quarzstuecken gefuelltes erhitztes Eisenrohr; | |
| at 445 - 455℃; durch ein mit Quarzstuecken gefuelltes erhitztes Eisenrohr; |
- 67-56-1
methanol
- 108-22-5
Isopropenyl acetate
- 201230-82-2
carbon monoxide
A
- 57865-41-5
2-methoxy-2,5,5-trimethyl-1,3-dioxolan-4-one
B
- 2110-78-3
methyl 2-hydroxy-2-methylpropionate
C
- 89422-42-4
methyl 3-acetoxybutyrate
D
- 57865-37-9
methyl 2-acetoxy-2-methylpropionate
| Conditions | Yield |
|---|---|
| With 2,6-dimethylpyridine; PdCl2(PPh)3 In benzene at 100℃; under 152000 Torr; for 5.5h; Product distribution; Mechanism; other reagents, var. educts ratio, temp., pressure and time; | |
| With bis-triphenylphosphine-palladium(II) chloride In benzene at 100℃; under 114000 Torr; for 5h; Product distribution; Mechanism; other acetates, var. Pd and pyridine derivs. as reagents, concns. of reagents, temp. ans reaction time; | A 13 % Chromat. B 5.7 % Chromat. C 1.3 % Chromat. D 1.2 % Chromat. |
- 67-56-1
methanol
- 13027-88-8
2-hydroxyisobutyramide
A
- 2110-78-3
methyl 2-hydroxy-2-methylpropionate
B
- 82473-56-1
α-methoxyisobutyramide
| Conditions | Yield |
|---|---|
| With lead(IV) tetraacetate at 200℃; under 22501.8 - 30002.4 Torr; Product distribution; Rate constant; molar ratio of lead acetate; time;; |
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Specification
The Propanoic acid,2-hydroxy-2-methyl-, methyl ester is an organic compound with the formula C5H10O3. The IUPAC name of this chemical is methyl 2-hydroxy-2-methylpropanoate. With the CAS registry number 2110-78-3, it is also named as Lactic acid, 2-methyl-, methyl ester. Besides, it is clear colourless liquid, which should be stored at temperature of 2 - 8 °C. It is used as a raw material in organic synthesis.
Physical properties about Propanoic acid,2-hydroxy-2-methyl-, methyl ester are: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -0.37; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15; (7)ACD/KOC (pH 7.4): 15; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.422; (13)Molar Refractivity: 28.48 cm3; (14)Molar Volume: 112.1 cm3; (15)Polarizability: 11.29×10-24cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 1.053 g/cm3; (18)Flash Point: 36.8 °C; (19)Enthalpy of Vaporization: 43.36 kJ/mol; (20)Boiling Point: 134.7 °C at 760 mmHg; (21)Vapour Pressure: 3.46 mmHg at 25°C.
Preparation: this chemical can be prepared by methanol and 2-hydroxy-2-methyl-propaionic acid. This reaction will need reagent SOCl2. The yield is about 81%.
Uses of Propanoic acid,2-hydroxy-2-methyl-, methyl ester: it can be used to produce methyl 2-methyl-2-(triethylsiloxy)propanoate at temperature of 60 °C. It will need reagent pyridine. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
It is flammable. When you are using it, please keep away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(O)(C)C
(2)InChI: InChI=1/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
(3)InChIKey: XYVQFUJDGOBPQI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
(5)Std. InChIKey: XYVQFUJDGOBPQI-UHFFFAOYSA-N
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