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| | 4-(Hydroxymethyl)cyclohexanone Basic information |
| Product Name: | 4-(Hydroxymethyl)cyclohexanone | | Synonyms: | 101951;4-(Hydroxymethyl)cyclohexan-1-one 97%;(4-Oxocyclohex-1-yl)methanol, 1-(Hydroxymethyl)-4-oxocyclohexane;4-(HydroxyMethly)cyclohexanone;4-Methylolcyclohexan-1-one;Cyclohexanone, 4-(hydroxyMethyl)-;4-(Hydroxymethyl)cyclohexan-1-one97%;4-(hydroxymethyl)cyclohexanone - [H86643] | | CAS: | 38580-68-6 | | MF: | C7H12O2 | | MW: | 128.17 | | EINECS: | | | Product Categories: | Ring Systems;Hydroxymethyl's | | Mol File: | 38580-68-6.mol |  |
| | 4-(Hydroxymethyl)cyclohexanone Chemical Properties |
| Boiling point | 239.8±13.0 °C(Predicted) | | density | 1.054±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Store in freezer, under -20°C | | form | solid | | pka | 14.85±0.10(Predicted) | | InChI | InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2 | | InChIKey | KHMBXNKCMNGLKG-UHFFFAOYSA-N | | SMILES | C1(=O)CCC(CO)CC1 |
| Hazard Codes | Xi | | Risk Statements | 37/38-41 | | Safety Statements | 26-39 | | WGK Germany | WGK 3 | | HS Code | 2914500090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 4-(Hydroxymethyl)cyclohexanone Usage And Synthesis |
| Uses | 4-(Hydroxymethyl)cyclohexanone is a reagent used for the preparation of indazoles and benzisoxazoles containing cyclohexylazetidine moieties which are CCR2 antagonists with good hERG selectivity. | | Synthesis Reference(s) | Tetrahedron Letters, 19, p. 2771, 1978 DOI: 10.1016/S0040-4039(01)94858-0 | | Synthesis | Example 5: Ce(IV)/PFCP (50 mg, 0.027 mmol) and NaBrO3 (200 mg) were dispersed and dissolved in acetic acid. Subsequently, 1,10-undecanediol (1.0 mmol) and 4-hydroxymethylcyclohexanol (1.0 mmol) were added, respectively. The reaction mixture was heated at 55°C for 3 hours. Upon completion of the reaction, the products were purified by column chromatography to afford 10-undecan-1-ol (154 mg, 82% yield) and 4-hydroxymethylcyclohexanone (93 mg, 73% yield). | | References | [1] Patent: US4617153, 1986, A |
| | 4-(Hydroxymethyl)cyclohexanone Preparation Products And Raw materials |
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