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| | Methyl 3-oxovalerate Basic information |
| | Methyl 3-oxovalerate Chemical Properties |
| Melting point | -35 °C | | Boiling point | 73-74 °C5 mm Hg(lit.) | | density | 1.037 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.422(lit.) | | Fp | 71 °C | | storage temp. | Store below +30°C. | | solubility | Chloroform | | pka | 10.56±0.46(Predicted) | | form | Liquid | | color | Clear colorless to slightly yellow | | Specific Gravity | 1.05 | | Water Solubility | SLIGHTLY SOLUBLE | | BRN | 1753684 | | InChIKey | XJMIXEAZMCTAGH-UHFFFAOYSA-N | | CAS DataBase Reference | 30414-53-0(CAS DataBase Reference) | | NIST Chemistry Reference | Pentanoic acid, 3-oxo-, methyl ester(30414-53-0) |
| Hazard Codes | F,Xi | | Risk Statements | 36/37/38 | | Safety Statements | 24/25-36-26 | | WGK Germany | 3 | | Hazard Note | Flammable | | HazardClass | IRRITANT | | HS Code | 29183000 |
| | Methyl 3-oxovalerate Usage And Synthesis |
| Chemical Properties | clear colorless to slightly yellow liquid | | Uses | Methyl 3-oxovalerate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones.
| | Uses | Methyl Propionylacetate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones. | | Synthesis Reference(s) | Journal of the American Chemical Society, 92, p. 6702, 1970 DOI: 10.1021/ja00725a088
The Journal of Organic Chemistry, 43, p. 2087, 1978 DOI: 10.1021/jo00404a066 |
| | Methyl 3-oxovalerate Preparation Products And Raw materials |
| Raw materials | Ammonium hydroxide-->Ammonium chloride-->Methyl acetoacetate-->2-Pentenoic acid, 3-amino-, methyl ester, (2Z)--->Hexanoicacid, 2,4-dioxo-, methyl ester-->Methyl malonyl chloride-->3-OxopentanoicAcid-->5-(1-hydroxypropylidene)-2,2-diMethyl-1,3-dioxane-4,6-dione-->METHYL 2-PENTYNOATE-->ethylmagnesium iodide-->2,2-diMethyl-5-propanoyl-1,3-dioxane-4,6-dione-->Potassium 3-methoxy-3-oxopropanoate-->Methyl cyanoacetate-->2-Butanone | | Preparation Products | 2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETIC ACID-->4-ETHYL-6-HYDROXY-2-METHYLPYRIMIDINE-->2-(2,5-DIMETHYL-1,3-THIAZOL-4-YL)ACETIC ACID-->METHYL 2-(2,5-DIMETHYL-1,3-THIAZOL-4-YL)ACETATE-->METHYL 4-BROMO-3-OXOPENTANOATE-->2-ETHYL-4-METHYLQUINOLINE-3-CARBOXYLIC ACID-->TAK-441-->methyl 3-oxohept-6-ynoate |
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