- 4,4-Dimethylcyclohexanone
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- $15.00 / 1KG
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2021-07-13
- CAS:4255-62-3
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | 4 4-DIMETHYLCYCLOHEXANONE 97 Basic information |
| Product Name: | 4 4-DIMETHYLCYCLOHEXANONE 97 | | Synonyms: | 4,4-Dimethylcyclohexan-1-one 98%;BAS 08748190;BB_SC-5119;4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-keto-butyric acid;4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutanoate;4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate;Cyclohexanone, 4,4-dimethyl-;4 4-DIMETHYLCYCLOHEXANONE 97 | | CAS: | 4255-62-3 | | MF: | C8H14O | | MW: | 126.2 | | EINECS: | 626-769-8 | | Product Categories: | bc0001 | | Mol File: | 4255-62-3.mol |  |
| | 4 4-DIMETHYLCYCLOHEXANONE 97 Chemical Properties |
| Melting point | 41-45 °C | | Boiling point | 105-106℃ (80 Torr) | | density | 0.892±0.06 g/cm3 (20 ºC 760 Torr) | | refractive index | 1.46442 (22.45℃) | | Fp | 137 °F | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | color | White to Almost white | | Water Solubility | Insoluble in water. | | InChI | InChI=1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3 | | InChIKey | PXQMSTLNSHMSJB-UHFFFAOYSA-N | | SMILES | C1(=O)CCC(C)(C)CC1 |
| Hazard Codes | F,Xi | | Risk Statements | 11-36 | | Safety Statements | 16-26-24/25 | | RIDADR | UN 1325 4.1/PG 2 | | WGK Germany | 2 | | HazardClass | 4.1 | | PackingGroup | Ⅱ | | HS Code | 29142990 | | Storage Class | 4.1B - Flammable solid hazardous materials | | Hazard Classifications | Eye Irrit. 2
Flam. Sol. 1 |
| | 4 4-DIMETHYLCYCLOHEXANONE 97 Usage And Synthesis |
| Chemical Properties | Colorless crystal | | Uses | 4,4-Dimethylcyclohexanone is used as a pharmaceutical intermediate. | | Synthesis | Cobalt catalyst (5 mol%, 10 mol, 8.6 mg) and magnets were added to the dried reaction vial and the vial was capped using a stopper with a rubber septum. The air in the reaction vial was displaced with argon, and tetrahydrofuran (2.0 mL), alkenone (1 equiv., 0.2 mmol), and pinacolborane (2 equiv., 0.4 mmol, 58 L) were added sequentially to the mixture. The vials were exposed to a blue LED overnight. At the end of the reaction, the solution was diluted with ether, the mixture was washed twice with distilled water, the combined aqueous layer was extracted twice with ether, and finally the combined organic layer was washed with brine. The resulting mixture was dried with anhydrous magnesium sulfate, and the mixture was filtered to remove the magnesium sulfate; the mixture was concentrated under vacuum, and the crude product was purified by column chromatography (0-10% ethyl ether in pentane) to give the target product 4,4-dimethylcyclohexanone. |
| | 4 4-DIMETHYLCYCLOHEXANONE 97 Preparation Products And Raw materials |
| Raw materials | 4,4-Dimethylpimelic acid diethyl ester-->3,3-DIMETHYL-1,4-PENTADIENE-->2-Oxepanone, 5,5-dimethyl--->4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE-->Triethylenediamine | | Preparation Products | 2-Cyclohexen-1-ol, 4,4-dimethyl--->3,3-Dimethylcyclohexanone-->4,4-DIMETHYLCYCLOHEXEN-1-YLBORONIC ACID-->Cyclohexaneacetic acid, 4,4-dimethyl-, methyl ester-->Benzoic acid, 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]-1-piperazinyl]-, 1,1-dimethylethyl ester-->4,4-DIMETHYL-2-(2-OXOPROPYL)CYCLOHEXAN-1-ONE-->Cyclohexanone, 2-acetyl-4,4-dimethyl- |
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