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CAS No.: | 924-50-5 |
---|---|
Name: | Methyl 3-methyl-2-butenoate |
Article Data: | 68 |
Molecular Structure: | |
Formula: | C6H10O2 |
Molecular Weight: | 114.144 |
Synonyms: | Methyl 3,3-dimethylacrylate |
EINECS: | 213-107-4 |
Density: | 0.916 g/cm3 |
Melting Point: | -41°C |
Boiling Point: | 136.5 °C at 760 mmHg |
Flash Point: | 32.1 °C |
Solubility: | Soluble in chloroform. Insoluble in water, |
Appearance: | colorless transparent liquid |
Hazard Symbols: | Xi |
Risk Codes: | 10 |
Safety: | 16-29-33 |
Transport Information: | UN 3272 3/PG 3 |
PSA: | 26.30000 |
LogP: | 1.12560 |
Conditions | Yield |
---|---|
With [1-(3-sulfonic acid)]propyl-3-methylimidazolium hydrogen sulfate for 3h; Reflux; Green chemistry; | 97.8% |
With sulfuric acid | 95% |
With sulfuric acid for 16h; Heating; | 92% |
tert-butyl(1-methoxyvinyl)dimethylsilane
acetone
Methyl 3,3-dimethylacrylate
Conditions | Yield |
---|---|
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% |
methanol
C9H18ClNO3
A
Methyl 3,3-dimethylacrylate
B
β-(N-methoxy-N-isopropoxyamino)-isovaleric acid methyl ester
Conditions | Yield |
---|---|
With triethylamine 1.) -20 deg C, 6 h, 2.) 20 deg C, 1 h; | A 14% B 86% |
(E)-4-bromo-3-methyl-2-butenoic acid methyl ester
A
Methyl 3,3-dimethylacrylate
B
(E)-5-Isopropenyl-3-methyl-hex-2-enedioic acid dimethyl ester
Conditions | Yield |
---|---|
With zinc In dimethyl sulfoxide for 4h; | A 10% B 68% |
(Z)-methyl-β-bromomethyl-β-methylacrylate
A
Methyl 3,3-dimethylacrylate
B
(Z)-5-Isopropenyl-3-methyl-hex-2-enedioic acid dimethyl ester
Conditions | Yield |
---|---|
With zinc In dimethyl sulfoxide for 4h; | A 10% B 67% |
β-(N-chloro-N-methoxyamino)-isovaleric acid methyl ester
isobutene
A
Methyl 3,3-dimethylacrylate
B
β-isovaleric acid methyl ester
Conditions | Yield |
---|---|
With sulfur dioxide 1.) 7 deg C, 24 h, 2.) 20 deg C, 2 h; | A 13% B 67% |
2,2,3,3-tetracyano-4,4-dimethylcyclopentanone dimethyl acetal
A
Methyl 3,3-dimethylacrylate
B
methyl 3,3-dimethyl-4,5,5-tricyano-4-pentenoate
C
methyl 3,3-dimethyl-4,4,5,5-tetracyanopentanoate
Conditions | Yield |
---|---|
With water In acetonitrile at 80℃; for 12h; | A n/a B n/a C 63% |
(2-Trifluoromethanesulfonyl-pentane-2-sulfonyl)-acetic acid methyl ester
Methyl 3,3-dimethylacrylate
Conditions | Yield |
---|---|
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water | 62% |
β-(N,N-dimethoxyamino)-isovaleric acid methyl ester
A
Methyl 3,3-dimethylacrylate
B
3-(2-Methoxycarbonyl-1,1-dimethyl-ethyl-NNO-azoxy)-3-methyl-butyric acid methyl ester
Conditions | Yield |
---|---|
With triethylamine hydrochloride In chloroform for 126h; Product distribution; Heating; various acyclic N,N-dialkoxyamines; | A 15% B 51.9% |
methyl 2-diazo-3-methylbutanoate
Methyl 3,3-dimethylacrylate
Conditions | Yield |
---|---|
at 400℃; under 0.001 - 0.1 Torr; | 47% |
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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)
Hazard Codes: Xi
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 , 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 .