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52313-87-8

Basic Information
CAS No.: 52313-87-8
Name: DIMETHYL 3-METHYLGLUTACONATE
Article Data: 4
Molecular Structure:
Molecular Structure of 52313-87-8 (DIMETHYL 3-METHYLGLUTACONATE)
Formula: C8H12O4
Molecular Weight: 172.181
Synonyms: 2-Pentenedioicacid, 3-methyl-, dimethyl ester (9CI);Glutaconic acid, 3-methyl-, dimethylester (6CI);Dimethyl 3-methylglutaconate;Dimethyl b-methylglutaconate;
EINECS: 257-839-2
Density: 1.095
Boiling Point: 232.8 °C at 760 mmHg
Flash Point: 96.7 °C
PSA: 52.60000
LogP: 0.66880
Synthetic route
41264-06-6

methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

124-41-4

sodium methylate

52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

Conditions
ConditionsYield
In methanol

3-Hydroxy-3-methyl-5,5-bis-methylsulfanyl-pent-4-enoic acid ethyl ester

52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In methanol for 20h; Heating; Yield given;
67-56-1

methanol

372-42-9, 15649-56-6, 5746-90-7

3-methylpent-2-enedioic acid

52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

Conditions
ConditionsYield
With sulfuric acid
Stage #1: 3-methylpent-2-enedioic acid at 72℃; for 8h;
Stage #2: methanol at 90 - 120℃; for 0.5h;
485 g
52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

19013-37-7

dimethyl 3-methylglutarate

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal at 65℃; under 3040 Torr;91%
52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

630-19-3

pivalaldehyde

anti-6-tert-butyl-5-methoxycarbonyl-4-methyl-5,6-dihydro-2H-pyran-2-one

Conditions
ConditionsYield
With zinc(II) chloride; lithium hexamethyldisilazane In tetrahydrofuran 1.) -35 deg C, 0.5 h, 2.) -65 deg C, 15 min, 3.) -30 deg C to -10 deg C, 7 h;90%
52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

122-78-1

phenylacetaldehyde

135628-90-9

(Z)-3-Methyl-2-((E)-styryl)-pent-2-enedioic acid 1-methyl ester

Conditions
ConditionsYield
With sodium methylate In diethyl ether at 20℃; for 2h;85%
947-91-1

Diphenylacetaldehyde

52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

135628-95-4

(Z)-2-(2,2-Diphenyl-vinyl)-3-methyl-pent-2-enedioic acid 1-methyl ester

Conditions
ConditionsYield
With sodium methylate In diethyl ether at 20℃; for 2h;65%
5703-26-4

4-Methoxyphenylacetaldehyde

52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

135628-92-1

(Z)-2-[(E)-2-(4-Methoxy-phenyl)-vinyl]-3-methyl-pent-2-enedioic acid 1-methyl ester

Conditions
ConditionsYield
With sodium methylate In diethyl ether at 20℃; for 2h;65%
52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

34713-70-7

2-Phenylpropanal

135628-94-3

(Z)-3-Methyl-2-((E)-2-phenyl-propenyl)-pent-2-enedioic acid 1-methyl ester

Conditions
ConditionsYield
With sodium methylate In diethyl ether at 20℃; for 2h;65%
52313-87-8

3-methyl-2-pentene-1,5-diacid dimethyl

122-78-1

phenylacetaldehyde

syn-6-benzyl-5-methoxycarbonyl-4-methyl-5,6-dihydro-2H-pyran-2-one

Conditions
ConditionsYield
With zinc(II) chloride; lithium hexamethyldisilazane In tetrahydrofuran 1.) -35 deg C, 0.5 h, 2.) -65 deg C, 15 min, 3.) -30 deg C to -10 deg C, 7 h;65%
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  • 52313-87-8  CAS NO.52313-87-8

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    52313-87-8 CAS NO.52313-87-8

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Chemistry

EINECS: 257-839-2 
Empirical Formula: C8H12O4
Molecular Weight: 172.1785
Nominal Mass: 172 Da
Average Mass: 172.1785 Da
Monoisotopic Mass: 172.073559 Da 
Index of Refraction: 1.441
Molar Refractivity: 42.56 cm3
Molar Volume: 160.9 cm3
Surface Tension: 32.1 dyne/cm
Density: 1.069 g/cm3
Flash Point: 96.7 °C
Enthalpy of Vaporization: 46.95 kJ/mol
Boiling Point: 232.8 °C at 760 mmHg
Vapour Pressure: 0.0579 mmHg at 25 °C
Structure of Dimethyl 3-methylpent-2-enedioate (CAS NO.52313-87-8):
                    
InChI
InChI=1/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3
Smiles
C(\C(=O)OC)=C(/CC(=O)OC)C
Product Category of Dimethyl 3-methylpent-2-enedioate (CAS NO.52313-87-8): Carbonyl Compounds;Esters

Specification

 Dimethyl 3-methylpent-2-enedioate , its cas register number is 52313-87-8.