Products Categories
| CAS No.: | 20577-61-1 |
|---|---|
| Name: | Methyl acetopyruvate |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8O4 |
| Molecular Weight: | 144.127 |
| Synonyms: | Valericacid, 2,4-dioxo-, methyl ester (6CI,8CI);1-Methoxy-1,2,4-pentanetrione;Methyl2,4-dioxopentanoate;Methyl 3-acetylpyruvate;Methyl acetylpyruvate;Methyl b-acetylpyruvate; |
| EINECS: | 243-891-3 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 63-64 °C |
| Boiling Point: | 195.1 °C at 760 mmHg |
| Flash Point: | 75.5 °C |
| Appearance: | white or faintly yellow needles |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 36 |
| Safety: | 24/25-26 |
| PSA: | 60.44000 |
| LogP: | -0.29240 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
What can I do for you?
Get Best Price
Specification
The Methyl acetopyruvate, with the CAS registry number 20577-61-1, is also known as Acetopyruvic acid methyl ester. Its EINECS registry number is 243-891-3. This chemical's molecular formula is C6H8O4 and molecular weight is 144.13. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2,4-dioxopentanoate. It is white or faintly yellow needles.
Physical properties about Methyl acetopyruvate are: (1) ACD/LogP: -0.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.74; (4) ACD/LogD (pH 7.4): -1.42; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 9.23; (8) ACD/KOC (pH 7.4): 1.93; (9)#H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 60.44 Å2; (13) Index of Refraction: 1.419; (14) Molar Refractivity: 31.68 cm3; (15) Molar Volume: 125.2 cm3; (16) Surface Tension: 35.4 dyne/cm; (17) Density: 1.15 g/cm3; (18) Flash Point: 75.5 °C; (19) Enthalpy of Vaporization: 43.13 kJ/mol; (20) Boiling Point: 195.1 °C at 760 mmHg; (21) Vapour Pressure: 0.427 mmHg at 25 °C; (22) Melting Point: 63-64 °C.
Preparation of Methyl acetopyruvate: this chemical can be prepared by Propan-2-one with Oxalic acid dimethyl ester. This reaction needs reagent Sodium methoxide, solvent Methanol and other condition of heating for 3 hours. The yield is 68 %.
Uses of Methyl acetopyruvate: (1) it is used as intermediates of Methyl isopropyl evil of triazoles sulfonamides; (2) it is used to produce other chemicals. For example, it is used to produce 3-acetyl-4,5-dioxo-2-(2-oxo-propyl)-tetrahydro-furan-2-carboxylic acid methyl ester. The reaction occurs with reagent Aqueous sodium acetate solution.
.jpg)
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eye. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CC(=O)C(=O)OC)C
(2) InChI: InChI=1/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3
(3) InChIKey: OMHOEQINEXASKE-UHFFFAOYAO