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Chemical Structure| 499-76-3 Chemical Structure| 499-76-3
Chemical Structure| 499-76-3

4-Hydroxy-3-methylbenzoic acid

CAS No.: 499-76-3

4-Hydroxy-3-methylbenzoic acid is a normal organic acid identified in urine specimens from a healthy population.

4.5 *For Research Use Only !

Cat. No.: A316704 Purity: 98%

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Product Details of 4-Hydroxy-3-methylbenzoic acid

CAS No. :499-76-3
Formula : C8H8O3
M.W : 152.15
SMILES Code : C1=C(C(=CC=C1C(O)=O)O)C
MDL No. :MFCD00270105
InChI Key :LTFHNKUKQYVHDX-UHFFFAOYSA-N
Pubchem ID :68138

Safety of 4-Hydroxy-3-methylbenzoic acid

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of 4-Hydroxy-3-methylbenzoic acid

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 499-76-3 ]

[ 499-76-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 558-42-9 ]
  • [ 499-76-3 ]
  • [ 1392466-98-6 ]
YieldReaction ConditionsOperation in experiment
75% [00302j 5-(2-fluoro-2-methyl-propoxy)-6-methoxy-pyridine-2- carboxylic acid [00303j A mixture of 1-chloro-2-methyl-propan-2-ol (10 mL, ), 4- hydroxy-3-methyl-benzoic acid (2.0 g, 13.2 mmol), K2C03 (7.3 g, 52.7 mmol), H20 (6.0 mL) and ethanol (60 mL) was heated at 80 °C overnight. The reaction mixturewas cooled to rt, partitioned between iN NaOH and EtOAc and the layers separated. The organic layer was washed with iN NaOH (2x) and the combined aqueous layers were washed with EtOAc. The combined organics were concentrated under reduced pressure and diluted with EtOH (15 mL). The mixture was treated with H20 (2 mL) and NaOH (1.0 g, 26.3 mmol). The reaction mixture was stirred at 40 °C for 4 h. Thereaction mixture was poured into iN NaOH and extracted with ether (2x). The pH was brought to 2-3 with 6N HC1 and the aqueous material was extracted with EtOAc (3x). The organics were combined, washed with saturated aqueous NaC1, dried (Na2SO4), filtered, and evaporated to dryness. The material was triturated with ether to provide 4-(2-hydroxy-2-methyl-propoxy)-3-methyl-benzoic acid (2.2 g, 75percent) as a white solid.?H NMR (400 MHz, DMSO) d 7.75 (dd, J = 8.5, 2.0 Hz, 1H), 7.73 - 7.70 (m, 1H), 6.96 (d, J = 8.6 Hz, 1H), 4.67 (s, 1H, OH), 3.76 (s, 2H), 2.20 (s, 3H), 1.22 (s, 6H). ESI-MS mlz calc. 224.1, found 225.5 (M+1) Retention time: 1.06 mm (3 mm run).
  • 2
  • [ 499-76-3 ]
  • [ 15777-70-5 ]
 

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