815-77-0

Basic information

• Product Name: Isobutyroin
• Synonyms: Isobutyroin;2,5-Dimethyl-4-hydroxyhexane-3-one;4-Hydroxy-2,5-dimethyl-3-hexanone;3-Hexanone, 4-hydroxy-2,5-diMethyl-;4-hydroxy-2,5-dimethylhexan-3-one
• CAS NO: 815-77-0
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21144
• Product Categories: Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 815-77-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 182.1°C at 760 mmHg
• Flash Point: 69.1°C
• Appearance: /
• Density: 0.922g/cm³
• Vapor Pressure: 0.239mmHg at 25°C
• Refractive Index: 1.432
• Solubility: Chloroform, DCM
• PKA: 12.71±0.20(Predicted)
• CAS DataBase Reference: Isobutyroin(CAS DataBase Reference)
• NIST Chemistry Reference: Isobutyroin(815-77-0)
• EPA Substance Registry System: Isobutyroin(815-77-0)

Safety Data

• Hazardous Substances Data: 815-77-0(Hazardous Substances Data)

Usage

Uses

Isobutyroin is an intermediate in the synthesis of pteridine derivatives with potential protective effects with vibrio cholerae infection.

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

Upstream product

• 79-30-1 isobutyryl chloride 
• 64-19-7 acetic acid 
• 67-64-1 acetone 
• 97-62-1 Ethyl isobutyrate 
• 71-43-2 benzene 
• 60-29-7 diethyl ether 
• 2736-37-0 isobutyryl bromide 
• 7664-41-7 ammonia 
• 78-84-2 isobutyraldehyde 
• 100-52-7 benzaldehyde 
• 76047-26-2 (1-methoxy-1-iodo-2-methylpropyl)triethylphosphonium iodide 
• 4388-87-8 2,5-dimethyl-hexane-3,4-dione 

Downstream Products

• 18328-33-1 2,5-Dimethyl-4-chlorhexanon-(3) 
• 78-84-2 isobutyraldehyde 
• 22607-11-0 meso-2,5-Dimethyl-3,4-hexanediol 
• 79-31-2 isobutyric Acid 
• 797802-16-5 4,5-diisopropyl-oxazole 
• 22520-38-3 (3S,4S)-2,5-dimethyl-3,4-hexanediol 
• 22520-37-2 dl-2,5-dimethylhexane-3,4-diol 
• 19848-18-1 1-Phenyl-3-isopropyl-5-methyl-hexin-⁽¹⁾-diol-(3.4) 
• 108012-79-9 2,5-dimethyl-hex-4-en-3-one-(2,4-dinitro-phenylhydrazone) 
• 1888-57-9 2,5-dimethylhexan-3-one 
• 75692-30-7 1,3-dibenzyl-4,5-diisopropylimidazoline-2-thione 

Relevant articles and documents

Zinc-promoted reactions. Part 5. The behaviour of alkyl substituted 1,3-diketones

The zinc-promoted reaction of 2,4-pentanedione and related β-dicarbonyl substrates have been investigated under a variety of conditions. The results were explained according to a general mechanism, involving ionic and nonionic pathways.

Chemistry of O-Alkyl Selenoesters. Reaction with Triethylphosphine

The reaction between triethylphosphine and a number of aliphatic and aromatic selenoesters under oxygen-free conditions have been investigated.The purple intermediate formed in the reaction with the aliphatic selenoesters was quenched with atmospheric oxygen and gave the corresponding esters, whereas quenching with methyl iodide gave the corresponding 1-alkoxy-1-iodoalkyltriethylphosphonium iodides (13)-(16).The 1-alkoxy-1-iodoalkyltriethylphosphonium iodides gave the 1-alkoxyalkyltriethylphosphonium iodides (17)-(20) upon treatment with methanol, and treatment with benzaldehyde at -70 deg C gave α-alkoxyalkyl phenyl ketones (22)-(25).The reaction between the selenobenzoates and triethylphosphine gave α-dialkoxy-stilbenes and -dibenzyls.When the reaction was carried out in cyclohexene 7-alkoxy-7-phenylbicycloheptanes were formed.The presence of benzaldehyde in the reaction mixture led to α-alkoxystilbenes.An explanation for these different reactions is presented.