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CAS No.: | 13192-04-6 |
---|---|
Name: | Dimethyl 2-oxoglutarate |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C7H10O5 |
Molecular Weight: | 174.153 |
Synonyms: | Glutaricacid, 2-oxo-, dimethyl ester (6CI,7CI,8CI);Pentanedioic acid, 2-oxo-, dimethylester (9CI);2-Oxoglutaric acid dimethyl ester;Dimethyl 2-oxopentanedioate;Dimethyl a-ketoglutarate;Dimethyl a-oxoglutarate;a-Ketoglutaric acid dimethyl ester; |
Density: | 1.175 g/cm3 |
Boiling Point: | 249.4 °C at 760 mmHg |
Flash Point: | 105 °C |
Appearance: | Slight Yellow Liquid |
PSA: | 69.67000 |
LogP: | -0.31830 |
Conditions | Yield |
---|---|
With boron trifluoride at 65℃; for 0.333333h; | 100% |
With toluene-4-sulfonic acid In chloroform Heating; | 94% |
With sulfuric acid for 2h; Heating; | 90% |
α-ketoglutaric acid
dimethyl 2-ketoglutarate
Conditions | Yield |
---|---|
In methanol; benzene for 0.5h; Ambient temperature; | 85% |
methanol
α-ketoglutaric acid
A
dimethyl 2-ketoglutarate
B
2-Oxoglutarsaeure-1-methylester
Conditions | Yield |
---|---|
With 2,2-dimethoxy-propane for 144h; Ambient temperature; | A 81% B 7% |
Conditions | Yield |
---|---|
In diethyl ether at 0℃; for 4h; | 76% |
dimethyl 2-ketoglutarate
Conditions | Yield |
---|---|
With pyridine In tetrahydrofuran; water at 60℃; | 28% |
dimethyl 2-ketoglutarate
Conditions | Yield |
---|---|
With pyridine In tetrahydrofuran; water at 60℃; | 22% |
2,5-dimethoxy-2,5-dihydro-furan-2-carboxylic acid methyl ester
A
4-oxobutanoic acid methyl ester
B
dimethyl 2-ketoglutarate
Conditions | Yield |
---|---|
With hydrogenchloride at 90℃; Erwaermen des Reaktionsprodukts mit Schwefelsaeure enthaltendem Methanol.; |
dimethyl 2-ketoglutarate
Conditions | Yield |
---|---|
With hydrogenchloride |
dimethyl 2-ketoglutarate
Conditions | Yield |
---|---|
at 360℃; |
dimethyl 2-ketoglutarate
Conditions | Yield |
---|---|
at 360℃; |
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The Pentanedioic acid,2-oxo-,1,5-dimethyl ester with CAS registry number of 13192-04-6 belongs to the classes of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Miscellaneous Reagents; C6 to C7; Carbonyl Compounds; Esters. The IUPAC name is dimethyl 2-oxopentanedioate. In addition, the molecula formula is C7H10O5 and the molecular weight is 174.15. It is a kind of slight yellow liquid.
Physical properties about this chemical are: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.21; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.21; (8)ACD/KOC (pH 7.4): 18.21; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 38.05 cm3; (15)Molar Volume: 148.1 cm3; (16)Polarizability: 15.08 ×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 105 °C; (20)Enthalpy of Vaporization: 48.66 kJ/mol; (21)Boiling Point: 249.4 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.
Preparation of Pentanedioic acid,2-oxo-,1,5-dimethyl ester: this chemical can be prepared by 2-oxo-pentanedioic acid. This reaction will need solvents methanol and benzene. The reaction time is 30 minutes. The yield is about 85%.
Uses of Pentanedioic acid,2-oxo-,1,5-dimethyl ester: it can react with betrimethyl-silanecarbonitrile to get dimethyl 2-cyano-2-(trimethylsilyl)oxyglutarate. The reaction time is 19 hours at ambient temperature. The yield is about 93%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OC)CCC(=O)OC
(2)InChI: InChI=1/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3
(3)InChIKey: TXIXSLPEABAEHP-UHFFFAOYAN