3-isobutylglutaric acid Chemical Properties

Melting point:

47 °C

Boiling point:

326.2±15.0 °C(Predicted)

Density 

1.126±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Store in freezer, under -20°C

solubility 

Methanol (Slightly), Water (Slightly)

form 

Solid

pka

4.19±0.10(Predicted)

color 

White to Pale Brown

InChI

InChI=1S/C9H16O4/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)

InChIKey

UATSLDZQNXAKMA-UHFFFAOYSA-N

SMILES

C(O)(=O)CC(CC(C)C)CC(O)=O

Safety Information

HS Code 

2917198090

3-isobutylglutaric acid Usage And Synthesis

Chemical Properties

Pale Brown Solid

Uses

An impurity of Pregabalin (P704800) with anticonvulsant properties.

Application

3-Butylglutaric acid is an intermediate in the synthesis of pregabalin.Pregabalin is approved by the United States Food and Drug Administration (FDA) to treat neuropathic pain associated with diabetic peripheral neuropathy, spinal cord injury, and postherpetic neuralgia. Pregabalin is FDA-approved for the treatment of fibromyalgia. Pregabalin also has FDA approval as adjunctive therapy for partial-onset seizures in adults with epilepsy.

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