Isobutyroin

Base Information

• Chemical Name: Isobutyroin
• CAS No.: 815-77-0
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• Mol file: 815-77-0.mol

Synonyms:2,5-Dimethyl-4-hydroxyhexan-3-one;2,5-Dimethylhexan-3-ol-4-one; 4-Hydroxy-2,5-dimethyl-3-hexanone; Isobutyroin;NSC 23088

Chemical Property of Isobutyroin

Chemical Property:

• Vapor Pressure: 0.239mmHg at 25°C
• Boiling Point: 182.1°C at 760 mmHg
• PKA: 12.71±0.20(Predicted)
• Flash Point: 69.1°C
• PSA: 37.30000
• Density: 0.922g/cm³
• LogP: 1.22840
• Solubility.: Chloroform, DCM

Purity/Quality:

99% ^*data from raw suppliers

Isobutyroin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isobutyroin

There total 7 articles about Isobutyroin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 3.0%

2,5-dimethyl-hexane-3,4-dione (4388-87-8) → isobutyroin (815-77-0) + 2,5-dimethylhexan-3-one (1888-57-9)

Guidance literature:

With hydrogenchloride; acetic acid; zinc; for 48h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85756-2

Reference yield:

isobutyraldehyde (78-84-2) → isobutyroin (815-77-0) + 2-methyl-propan-1-ol (78-83-1) + 2,4-dimethyl-3-pentanol (600-36-2) + 2,5-dimethylhexan-3-one (1888-57-9) + 2,5-dimethyl-hexane-3,4-dione (4388-87-8) + 2,4-dimethylpentan-3-one (565-80-0)

Guidance literature:

With 2,5-Dimethyl-2,4-hexadiene; In pentane; Rate constant; Quantum yield; Irradiation;

DOI:10.1016/S0040-4020(01)92378-6

Reference yield:

ammonia (7664-41-7) + Ethyl isobutyrate (97-62-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → isobutyroin (815-77-0) + isobutyraldehyde (78-84-2)

Guidance literature:

DOI:10.1021/jo01210a005

upstream raw materials:

isobutyryl chloride

2,5-dimethyl-hexane-3,4-dione

benzaldehyde

(1-methoxy-1-iodo-2-methylpropyl)triethylphosphonium iodide

Downstream raw materials:

2,5-Dimethyl-4-chlorhexanon-(3)

isobutyraldehyde

meso-2,5-Dimethyl-3,4-hexanediol

isobutyric Acid

Refernces

• 1、 Kossanyi,Sabbah,Chaquin,Ronfart-Haret. "Photochemistry in solution-XX. Triplet reactivity of aliphatic aldehydes". . p. 3307 - 3315. Retrieved 2007/10/02.