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2110-78-3

Basic Information
CAS No.: 2110-78-3
Name: Methyl 2-hydroxyisobutyrate
Article Data: 56
Molecular Structure:
Molecular Structure of 2110-78-3 (Methyl 2-hydroxyisobutyrate)
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
Synthetic route
67-56-1

methanol

13027-88-8

2-hydroxyisobutyramide

2110-78-3

methyl 2-hydroxy-2-methylpropionate

Conditions
ConditionsYield
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%
67-56-1

methanol

594-61-6

2-methyllactic acid

2110-78-3

methyl 2-hydroxy-2-methylpropionate

Conditions
ConditionsYield
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 chloride81%
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
ConditionsYield
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
ConditionsYield
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;
547-63-7

Methyl isobutyrate

2110-78-3

methyl 2-hydroxy-2-methylpropionate

Conditions
ConditionsYield
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
67-56-1

methanol

2852-00-8

5,5-dimethyl-2-oxo-2λ4-[1,3,2]dioxathiolan-4-one

2110-78-3

methyl 2-hydroxy-2-methylpropionate

67-56-1

methanol

75-86-5

2-hydroxy-2-methylpropanenitrile

2110-78-3

methyl 2-hydroxy-2-methylpropionate

Conditions
ConditionsYield
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;

2,2,6,6-tetramethyl-4-oxo-3,5-dioxa-heptanedioic acid dimethyl ester

67-64-1

acetone

A

2110-78-3

methyl 2-hydroxy-2-methylpropionate

B

80-62-6

methacrylic acid methyl ester

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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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