32118-53-9

Basic information

• Product Name: 3-methyl-2-propan-2-yl-butanoic acid
• Synonyms: 2-Isopropyl-3-Methylbutanoic acid;3-methyl-2-propan-2-yl-butanoic acid
• CAS NO: 32118-53-9
• Molecular Formula: C8H16O2
• Molecular Weight: 144.21
• Mol File: 32118-53-9.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 226.6°Cat760mmHg
• Flash Point: 101.7°C
• Appearance: /
• Density: 0.922g/cm³
• Vapor Pressure: 0.0294mmHg at 25°C
• Refractive Index: 1.432
• CAS DataBase Reference: 3-methyl-2-propan-2-yl-butanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-2-propan-2-yl-butanoic acid(32118-53-9)
• EPA Substance Registry System: 3-methyl-2-propan-2-yl-butanoic acid(32118-53-9)

Safety Data

• Hazardous Substances Data: 32118-53-9(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 78, p. 5416, 1956 DOI: 10.1021/ja01601a068

InChI:InChI=1/C8H16O2/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H3,(H,9,10)

Upstream product

• 75-30-9 2-iodo-propane 
• 66730-62-9 C₅H₈O₂^(2-)*2Li⁽¹⁺⁾ 
• 7499-15-2 2,2-Diisopropylmalonsaeuremonoamid 
• 99176-61-1 2,2-diisopropyl-malonamic acid methyl ester 
• 62391-96-2 3-Methyl-2-isopropylbutyronitrile 
• 1888-57-9 2,5-dimethylhexan-3-one 
• 7498-49-9 diisopropyl-malonic acid monomethyl ester 
• 7647-01-0 hydrogenchloride 
• 866-29-5 2-cyano-2-isopropyl-3-methyl-butyric acid 
• 503-74-2 3-methylbutyric acid 
• 1735-09-7 diisopropyl-malonic acid 
• 94991-59-0 methyl 2-isopropyl-3-methylbutanoate 
• 5440-65-3 diisopropylethyl amide 

Downstream Products

• 94991-59-0 methyl 2-isopropyl-3-methylbutanoate 

Relevant articles and documents

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Syntheses and evaluation of anticonvulsant profile and teratogenicity of novel amide derivatives of branched aliphatic carboxylic acids with 4-aminobenzensulfonamide

Despite the availability of 14 new antiepileptic drugs (AEDs), about 30% of epileptic patients are not seizure-free. Consequently there is substantial need to develop new effective AEDs. A novel class of aromatic amides composed of phenylacetic acid or branched aliphatic carboxylic acids, with five to nine carbons in their carboxylic moiety, and aminobenzenesulfonamide were synthesized and evaluated in the anticonvulsant rat-maximal electroshock (MES) and subcutaneous metrazol seizure (scMet) tests. Fourteen of the synthesized amides had an anticonvulsant ED50 of 50 values of 7.6, 9.9, and 9.4 mg/kg and remarkable protective index (PI = TD 50/ED50) values of 65.7, 50.5, and 53.2, respectively. These potent sulfanylamides caused neural tube defects only at doses markedly exceeding their effective dose. The anticonvulsant properties of these compounds make them potential candidates for further development as new, potent, and safe AEDs.

Potent anticonvulsant urea derivatives of constitutional isomers of valproic acid

Valproic acid (VPA) is a major antiepileptic drug (AED); however, its use is limited by two life-threatening side effects: teratogenicity and hepatotoxicity. Several constitutional isomers of VPA and their amide and urea derivatives were synthesized and evaluated in three different anticonvulsant animal models and a mouse model for AED-induced teratogenicity. The urea derivatives of three VPA constitutional isomers propylisopropylacetylurea, diisopropylacetylurea, and 2-ethyl-3-methyl-pentanoylurea displayed a broad spectrum of anticonvulsant activity in rats with a clear superiority over their corresponding amides and acids. Enanatiomers of propylisopropylacetylurea and propylisopropylacetamide revealed enantioselective anticonvulsant activity, whereas only enantiomers of propylisopropylacetylurea displayed enantioselective teratogenicity. These potent urea derivatives caused neural tube defects, but only at doses markedly exceeding their effective dose, whereas VPA showed no separation between its anticonvulsant activity and teratogenicity. The broad spectrum of anticonvulsant activity of the urea derivatives coupled with their wide safety margin make them potential candidates to become new, potent AEDs.