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Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester

Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester Structure
CAS No.
102342-63-2
Chemical Name:
Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester
Synonyms
Methyl 2,4-dihydroxy-6-Hexylbenzoate;Methyl 2-hexyl-4,6-dihydroxybenzoate;Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester
CBNumber:
CB89948848
Molecular Formula:
C14H20O4
Molecular Weight:
252.31
MOL File:
102342-63-2.mol
Modify Date:
2024/3/27 16:59:26

Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester Properties

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

Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester Chemical Properties,Uses,Production

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.Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester

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.

Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester Preparation Products And Raw materials

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Benzoic acid, 2-hexyl-4,6-dihydroxy-, methyl ester Methyl 2-hexyl-4,6-dihydroxybenzoate Methyl 2,4-dihydroxy-6-Hexylbenzoate 102342-63-2