- Methyl isobutyrylacetate
-
- $0.00 / 25Kg/Drum
-
2026-04-17
- CAS:42558-54-3
- Min. Order: 1KG
- Purity: 98.5%min
- Supply Ability: 10 TONS
|
| | Methyl isobutyrylacetate Basic information |
| Product Name: | Methyl isobutyrylacetate | | Synonyms: | Methyl isobutyrylacetate ,98%;Methyl 4-methyl-3-ox;-2,2-diMethyl-1,3-dioxane-4-Acetate;Isobutyrylacetic Acid Methyl Ester
Methyl 4-Methyl-3-oxovalerate
4-Methyl-3-oxovaleric Acid Methyl Ester;METHYL ISOBUTYRYLACETATE FOR SYNTHESIS;Methyl 4-Methyl-3-oxovalerate (IBEM);Methyl 4-Methyl-3-oxopentanoate, 97+%;Butyl acyl Methyl acetate | | CAS: | 42558-54-3 | | MF: | C7H12O3 | | MW: | 144.17 | | EINECS: | 418-900-0 | | Product Categories: | ester series;bc0001 | | Mol File: | 42558-54-3.mol |  |
| | Methyl isobutyrylacetate Chemical Properties |
| Melting point | -75°C | | Boiling point | 55-57 °C15 hPa(lit.) | | density | 1.013 g/mL at 20 °C(lit.) | | vapor pressure | 1.46hPa at 25℃ | | refractive index | 1.4265 | | Fp | 79°C | | storage temp. | Store below +30°C. | | solubility | 43.6g/l | | pka | 10.59±0.46(Predicted) | | form | Oil | | color | Colourless | | PH | 4.8 (10g/l, H2O, 20℃) | | explosive limit | 1.29%(V) | | Water Solubility | 43.6g/L at 20℃ | | BRN | 1857823 | | InChI | 1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3 | | InChIKey | HNNFDXWDCFCVDM-UHFFFAOYSA-N | | SMILES | O(C)C(=O)CC(=O)C(C)C | | LogP | 0.21 at 25℃ | | CAS DataBase Reference | 42558-54-3(CAS DataBase Reference) |
| Risk Statements | 36/38 | | Safety Statements | 26-36-24/25 | | WGK Germany | 1 | | Autoignition Temperature | 280°C | | HS Code | 29183000 | | Storage Class | 10 - Combustible liquids |
| | Methyl isobutyrylacetate Usage And Synthesis |
| Chemical Properties | colorless to yellowish liquid | | Uses | Methyl isobutyrylacetate is used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet | | Uses | Isobutanoyl Methyl Acetate is a starting material in the synthesis of 3-Hydroxy-4-methylpentanoic Acid (H947700), which is isolated from Turkish tobacco leaves. It can be used to prepare 1,3-Polyol arrays via stereoselective rearrangement. | | Flammability and Explosibility | Not classified | | Synthesis | The general procedure for the synthesis of methyl isobutyrylacetate from 3-methyl-2-butanone and dimethyl carbonate was as follows: first, sodium hydride (70.32 g, 2.1 eq., 50% dispersion in oil) was washed with toluene, and the washings were decanted. Next, anhydrous toluene (500 mL) and dimethyl carbonate (329.3 g, 2 eq.) were added to the reaction system and the stirred mixture was heated to 80 °C under nitrogen protection. Meanwhile, 3-methyl-2-butanone (120 g, 1 eq.) was dissolved in 240 mL of toluene and slowly added to the reaction system. After the reaction lasted for 5 hours, the cooled mixture was poured into a mixture containing glacial acetic acid (300 mL) and water (120 mL). The organic layer was separated and the aqueous layer was further extracted with ethyl acetate (300 mL). All organic extracts were combined and after evaporation of the solvent, the residue was distilled to afford methyl 4-methyl-3-oxopentanoate as a slurry (138 g, 62.72% yield). | | References | [1] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 4, p. 923 - 926
[2] Patent: WO2006/110918, 2006, A1. Location in patent: Page/Page column 51
[3] Organic and Biomolecular Chemistry, 2011, vol. 9, # 3, p. 739 - 743
[4] Chemistry - A European Journal, 2008, vol. 14, # 32, p. 9864 - 9867
[5] Advanced Synthesis and Catalysis, 2016, vol. 358, # 12, p. 1934 - 1941 |
| | Methyl isobutyrylacetate Preparation Products And Raw materials |
| Raw materials | 2,2-diMethyl-5-(2-Methylpropanoyl)-1,3-dioxane-4,6-dione-->ethyl 3-oxo-2-acetyl-4-Methylpentanoate-->Azulene, 1,2,3,3a,6,8a-hexahydro-1,4-dimethyl-7-(1-methylethyl)-, (1R,3aS,8aS)--->METHYL 4-METHYL-2-PENTENOATE-->4-Methyl-3-oxopentanoic acid-->ISOBUTYRYL MELDRUM'S ACID-->METHYL DIAZOACETATE-->Isobutyryl chloride-->Ethyl isobutyrylacetate-->3-Methyl-2-butanone | | Preparation Products | 2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide-->1,3-Pentanediol, 4-methyl--->1-methoxy-4-methylpentan-3-ol-->5-Thiazolecarboxylic acid, 4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-, methyl ester-->2-AMINO-4-HYDROXY-6-ISOPROPYLPYRIMIDINE-->METHYL 5-ISOPROPYL-3-(2-(TRIFLUOROMETHOXY)PHENYL)ISOXAZOLE-4-CARBOXYLATE |
|