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Chemical Structure| 3739-38-6 Chemical Structure| 3739-38-6
Chemical Structure| 3739-38-6

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CAS No.: 3739-38-6

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3-Phenoxybenzoic acid is an endogenous metabolite.

Synonyms: 3-PBA

4.5 *For Research Use Only !

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Product Details of 3-Phenoxybenzoic acid

CAS No. :3739-38-6
Formula : C13H10O3
M.W : 214.22
SMILES Code : O=C(O)C1=CC=CC(OC2=CC=CC=C2)=C1
Synonyms :
3-PBA
MDL No. :MFCD00002498
InChI Key :NXTDJHZGHOFSQG-UHFFFAOYSA-N
Pubchem ID :19539

Safety of 3-Phenoxybenzoic acid

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

Application In Synthesis of 3-Phenoxybenzoic 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 [ 3739-38-6 ]

[ 3739-38-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 66230-04-4 ]
  • [ 1745-18-2 ]
  • [ 622-98-0 ]
  • [ 1875-88-3 ]
  • [ 2012-74-0 ]
  • [ 23853-78-3 ]
  • [ 3739-38-6 ]
  • [ 938-95-4 ]
  • [ 39515-51-0 ]
  • [ 873-76-7 ]
  • methyl N-hydroxybenzene carboximidoate [ No CAS ]
  • 2
  • [ 35418-07-6 ]
  • [ 3739-38-6 ]
  • C23H21NO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: To a solution of 3a (1 g) in ethanol was added Pd/C (5%, 0.1 g) and the mixture was stirred for 24 hrs at room temperature in a hydrogen atmosphere under atmospheric pressure. Insoluble matters were removed using Celite, and the filtrate was concentrated in vacuo to give the desired product 4a (0.76 g) as a yellow solid. To a solution of carboxylic acid (1 equiv) in CH2Cl2 (15 mL) at 0 C was added DMAP (1 equiv) and EDCI (1 equiv). The reaction mixture was stirred at 0 C for 45 minutes. At this time 4a (1 equiv) was added and the mixture was warmed to room temperature and stirred overnight. The resulting mixture was concentrated in vacuo, partitioned between 1.0 M HCl (20 ml) and ethyl acetate (3×20 mL). The combined organic layers were washed with brine (2 × 15 ml), dried over Na2SO4, filtered and concentrated in vacuo. The crude residue was purified by silica gel chromatograph using a mixture of petroleum ether/ethyl acetate (20 : 5, v/v) as eluent to afford the product as a white solid. To a solution of the obtained solid (1 equiv) in 2:3:1 THF/MeOH/H2O (18 ml) was added LiOH·H2O (1.5 equiv). After stirring at room temperature for 4 h, the volatiles were removed under reduced pressure. The residue was acidified with 1N hydrochloric acid solution, and then filtered and the filter cake was washed with 5 mL of water, dried in vacuum to afford a white powder. Recrystallization from 75% EtOH gave the desired compounds 2-17 as white solid.
 

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