| Identification | Back Directory | [Name]
4-(HYDROXYMETHYL)CYCLOHEXANONE | [CAS]
38580-68-6 | [Synonyms]
101951
4-Methylolcyclohexan-1-one
4-(HydroxyMethly)cyclohexanone
4-(HYDROXYMETHYL)CYCLOHEXANONE
4-(Hydroxymethyl)cyclohexan-1-one
Cyclohexanone, 4-(hydroxyMethyl)-
4-(Hydroxymethyl)cyclohexan-1-one97%
4-(Hydroxymethyl)cyclohexan-1-one 97%
(4-Oxocyclohex-1-yl)methanol, 1-(Hydroxymethyl)-4-oxocyclohexane | [Molecular Formula]
C7H12O2 | [MDL Number]
MFCD08056334 | [MOL File]
38580-68-6.mol | [Molecular Weight]
128.17 |
| Chemical Properties | Back Directory | [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 Information | Back Directory | [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 |
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