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Chemical Structure| 625-08-1 Chemical Structure| 625-08-1
Chemical Structure| 625-08-1

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3-Hydroxyisovaleric acid is a normal human metabolite excreted in the urine.

Synonyms: β-Hydroxy-β-methylbutyric Acid; β-Hydroxyisovaleric Acid; AUN-25081

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Product Details of 3-Hydroxyisovaleric acid

CAS No. :625-08-1
Formula : C5H10O3
M.W : 118.13
SMILES Code : CC(C)(O)CC(O)=O
Synonyms :
β-Hydroxy-β-methylbutyric Acid; β-Hydroxyisovaleric Acid; AUN-25081
MDL No. :MFCD00059081
InChI Key :AXFYFNCPONWUHW-UHFFFAOYSA-N
Pubchem ID :69362

Safety of 3-Hydroxyisovaleric acid

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

Application In Synthesis of 3-Hydroxyisovaleric 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 [ 625-08-1 ]

[ 625-08-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 625-08-1 ]
  • [ 1121057-75-7 ]
  • 3-hydroxy-3-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)butan-1-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
17.8% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 25℃; for 4h; To a solution of 3-hydroxy-3-methylbutanoic acid (7.94 g, 67.2 mmol), l-ethyl-3-(3- dimethylaminopropyl)carbodiimide hydrochloride (14.05 g, 73.3 mmol) and N,N-dimethylpyridin-4- amine (26.1 g, 214 mmol) in DCM (700 mL) was added 4-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)- 1,2,3,6-tetrahydropyridine, HQ (15 g, 61.1 mmol). The reaction was stirred at 25 °C for 4 h. The reaction was diluted with DCM (500 mL), washed with IN HC1 (400 mL) and brine (400 mL), dried over Na2SC>4, filtered, and concentrated under reduced pressure to give crude product, which was purified by column chromatography on silica gel (0-100percent EtOAc/hexane) to give the title compound (4 g, 17.8 percent); 1H NMR (400 MHz, CDCl3-d): delta 1.16 - 1.35 (m, 18 H), 2.20 - 2.30 (m, 2 H), 2.42 (d, J=15.44 Hz, 2 H), 3.46 (t, J=5.73 Hz, 1 H), 3.63 (t, J=5.51 Hz, 1 H), 3.97 (q, J=2.65 Hz, 1 H), 4.12 (q, J=2.65 Hz, 1 H), 5.27 (d, J=12.35 Hz, 1 H), 6.35 - 6.54 (m, 1 H).
  • 2
  • [ 625-08-1 ]
  • [ 1121057-75-7 ]
  • 3-methoxy-3-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)butan-1-one [ No CAS ]
 

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