ChemicalBook--->CAS DataBase List--->55382-52-0

55382-52-0

55382-52-0 Structure

55382-52-0 Structure
IdentificationBack Directory
[Name]

2,4-dihydroxy-6-propyl-benzoic acid methyl ester
[CAS]

55382-52-0
[Synonyms]

Methyl divatate
Methyl Divarinolcarboxylate
methyl 2,4-dihydroxy-6-propylbenzoate
2,4-dihydroxy-6-propyl-benzoic acid methyl ester
2,4-dihydroxy-6-n-propylbenzoic acid, methyl ester
Benzoic acid, 2,4-dihydroxy-6-propyl-, methyl ester
[EINECS(EC#)]

810-694-4
[Molecular Formula]

C11H14O4
[MDL Number]

MFCD20133801
[MOL File]

55382-52-0.mol
[Molecular Weight]

210.23
Chemical PropertiesBack Directory
[Boiling point ]

388.6±27.0 °C(Predicted)
[density ]

1.211±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

8.27±0.23(Predicted)
[InChI]

InChI=1S/C11H14O4/c1-3-4-7-5-8(12)6-9(13)10(7)11(14)15-2/h5-6,12-13H,3-4H2,1-2H3
[InChIKey]

AREDPURTHQTRTK-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=C(CCC)C=C(O)C=C1O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

2,4-dihydroxy-6-propyl-benzoic acid methyl ester is a carboxylate derivative and can be used as a pharmaceutical intermediate.
[Chemical Properties]

Pale yellow solid.
[Uses]

Methyl Divarinolcarboxylate is used in methods of manufacturing Cannabidiol or Cannabidivarin.
[Definition]

2,4-dihydroxy-6-propyl-benzoic acid methyl ester is a natural product found in Lobaria scrobiculata and Lobarina scrobiculata with data available.
[Preparation]

2,4-Dihydroxy-6-propylbenzoic acid was dissolved in methanol, and then a catalytic amount (a few drops) of concentrated sulfuric acid was added. The esterification reaction took place, followed by removal of the solvent. The resulting crude product was dissolved in ethyl acetate. The ethyl acetate solution was washed with water and then with saline. The organic layer was then dried using magnesium sulfate. The product was concentrated and subjected to purification using silica gel column chromatography. Finally, product A was obtained after the purification process.2,4-dihydroxy-6-propyl-benzoic acid methyl ester
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