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Methyl 3-methyl-2-butenoate

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Name

Methyl 3-methyl-2-butenoate

EINECS 213-107-4
CAS No. 924-50-5 Density 0.916 g/cm3
PSA 26.30000 LogP 1.12560
Solubility Soluble in chloroform. Insoluble in water, Melting Point -41°C
Formula C6H10O2 Boiling Point 136.5 °C at 760 mmHg
Molecular Weight 114.144 Flash Point 32.1 °C
Transport Information UN 3272 3/PG 3 Appearance colorless transparent liquid
Safety 16-29-33 Risk Codes 10
Molecular Structure Molecular Structure of 924-50-5 (Methyl 3-methyl-2-butenoate) Hazard Symbols IrritantXi
Synonyms

Methyl 3,3-dimethylacrylate

Article Data 68

Methyl 3-methyl-2-butenoate Synthetic route

67-56-1

methanol

541-47-9

3-Methylbutenoic acid

924-50-5

Methyl 3,3-dimethylacrylate

Conditions
ConditionsYield
With [1-(3-sulfonic acid)]propyl-3-methylimidazolium hydrogen sulfate for 3h; Reflux; Green chemistry;97.8%
With sulfuric acid95%
With sulfuric acid for 16h; Heating;92%
105245-42-9

tert-butyl(1-methoxyvinyl)dimethylsilane

67-64-1

acetone

924-50-5

Methyl 3,3-dimethylacrylate

Conditions
ConditionsYield
Stage #1: tert-butyl(1-methoxyvinyl)dimethylsilane; acetone With C40H61Al3O3 In acetonitrile at 0 - 5℃; for 72h; Mukaiyama Aldol Addition;
Stage #2: With hydrogenchloride In water; acetonitrile at 20℃; for 3h; Mukaiyama Aldol Addition;
90%
67-56-1

methanol

135765-56-9

C9H18ClNO3

A

924-50-5

Methyl 3,3-dimethylacrylate

B

82004-48-6

β-(N-methoxy-N-isopropoxyamino)-isovaleric acid methyl ester

Conditions
ConditionsYield
With triethylamine 1.) -20 deg C, 6 h, 2.) 20 deg C, 1 h;A 14%
B 86%
27652-13-7, 50465-52-6, 19041-17-9

(E)-4-bromo-3-methyl-2-butenoic acid methyl ester

A

924-50-5

Methyl 3,3-dimethylacrylate

B

91664-11-8

(E)-5-Isopropenyl-3-methyl-hex-2-enedioic acid dimethyl ester

Conditions
ConditionsYield
With zinc In dimethyl sulfoxide for 4h;A 10%
B 68%
27652-13-7

(Z)-methyl-β-bromomethyl-β-methylacrylate

A

924-50-5

Methyl 3,3-dimethylacrylate

B

91664-12-9

(Z)-5-Isopropenyl-3-methyl-hex-2-enedioic acid dimethyl ester

Conditions
ConditionsYield
With zinc In dimethyl sulfoxide for 4h;A 10%
B 67%
70569-70-9

β-(N-chloro-N-methoxyamino)-isovaleric acid methyl ester

115-11-7

isobutene

A

924-50-5

Methyl 3,3-dimethylacrylate

B

135765-48-9

β-isovaleric acid methyl ester

Conditions
ConditionsYield
With sulfur dioxide 1.) 7 deg C, 24 h, 2.) 20 deg C, 2 h;A 13%
B 67%
76430-13-2

2,2,3,3-tetracyano-4,4-dimethylcyclopentanone dimethyl acetal

A

924-50-5

Methyl 3,3-dimethylacrylate

B

76430-21-2

methyl 3,3-dimethyl-4,5,5-tricyano-4-pentenoate

C

76430-18-7

methyl 3,3-dimethyl-4,4,5,5-tetracyanopentanoate

Conditions
ConditionsYield
With water In acetonitrile at 80℃; for 12h;A n/a
B n/a
C 63%
101146-22-9

(2-Trifluoromethanesulfonyl-pentane-2-sulfonyl)-acetic acid methyl ester

924-50-5

Methyl 3,3-dimethylacrylate

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water62%
70569-71-0

β-(N,N-dimethoxyamino)-isovaleric acid methyl ester

A

924-50-5

Methyl 3,3-dimethylacrylate

B

80552-91-6

3-(2-Methoxycarbonyl-1,1-dimethyl-ethyl-NNO-azoxy)-3-methyl-butyric acid methyl ester

Conditions
ConditionsYield
With triethylamine hydrochloride In chloroform for 126h; Product distribution; Heating; various acyclic N,N-dialkoxyamines;A 15%
B 51.9%
63282-42-8

methyl 2-diazo-3-methylbutanoate

924-50-5

Methyl 3,3-dimethylacrylate

Conditions
ConditionsYield
at 400℃; under 0.001 - 0.1 Torr;47%

Methyl 3-methyl-2-butenoate Chemical Properties

Molecular Structure of Methyl 3-methyl-2-butenoate (CAS NO.924-50-5):

IUPAC Name: methyl 3-methylbut-2-enoate 
Empirical Formula: C6H10O2
Molecular Weight: 114.1424
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 26.3Å2
Index of Refraction: 1.42
Molar Refractivity: 31.52 cm3
Molar Volume: 124.4 cm3
Surface Tension: 25.2 dyne/cm
Density: 0.916 g/cm3
Flash Point: 32.1 °C
Enthalpy of Vaporization: 37.39 kJ/mol
Boiling Point: 136.5 °C at 760 mmHg
Vapour Pressure: 7.36 mmHg at 25°C
Melting point: -41°C
InChI
InChI=1/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3
Smiles
C(\C=C(\C)C)(OC)=O
EINECS: 213-107-4
Product Categories: (intermediate of Gancyclovir)

Methyl 3-methyl-2-butenoate Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 10
R10:Flammable.
Safety Statements: 16-29-33
S16:Keep away from sources of ignition. 
S29:Do not empty into drains. 
S33:Take precautionary measures against static discharges.
RIDADR: UN 3272 3/PG 3
WGK Germany: 1
F: 8
Hazard Note: Irritant
HazardClass: 3
PackingGroup: III

Methyl 3-methyl-2-butenoate Specification

  Methyl 3-methyl-2-butenoate , with CAS number of 924-50-5, can be called Senecioic acid, methyl ester (6CI) ; 3-Methyl-2-butenoic acid methyl ester ; 3-Methylcrotonic acid methyl ester ; Methyl 3,3-dimethacrylate ; Methyl 3,3-dimethylacrylate ; Methyl b,b-dimethylacrylate .

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