| Identification | Back Directory | [Name]
Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester | [CAS]
102342-63-2 | [Synonyms]
Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester | [EINECS(EC#)]
208-028-7 | [Molecular Formula]
C14H20O4 | [MOL File]
102342-63-2.mol | [Molecular Weight]
252.31 |
| Chemical Properties | Back Directory | [Boiling point ]
420.4±30.0 °C(Predicted) | [density ]
1.131±0.06 g/cm3(Predicted) | [pka]
8.49±0.24(Predicted) | [InChI]
InChI=1S/C14H20O4/c1-3-4-5-6-7-10-8-11(15)9-12(16)13(10)14(17)18-2/h8-9,15-16H,3-7H2,1-2H3 | [InChIKey]
ROSRLTQYJHJXIK-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=C(O)C=C(O)C=C1CCCCCC |
| Hazard Information | Back Directory | [Chemical Properties]
Red-brown crystalline powder | [Uses]
Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester, an important organic intermediate, can be used to synthesize organics such as 5-hexylbenzene-1,3-diol, 2-hexyl-4-hydroxy-6-methoxybenzoic acid, and so on. | [Preparation]
Using heptanone as the raw material, sodium hydroxide was added to initiate the reaction. TosOH, CHz(COOCH3)2, and NaOMe-MeOH were subsequently added for further reaction. Finally, Br2-DMF was added at 0 °C and then heated to 70-80 °C. After 24 hours of reaction, Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester could be obtained. | [Solubility in organics]
Very soluble in N,N-Dimethylformamide,Soluble in methanol,Sparingly soluble inglacial acetic acid, Very slightly soluble inchloroform, Practically insoluble in water.
|
|
|