4-Methyl-2-oxopentanoic acid methyl ester

Base Information

• Chemical Name: 4-Methyl-2-oxopentanoic acid methyl ester
• CAS No.: 3682-43-7
• Molecular Formula: C7H12 O3
• Molecular Weight: 144.17
• Hs Code.: 2918300090
• Mol file: 3682-43-7.mol

Synonyms:Valericacid, 4-methyl-2-oxo-, methyl ester (7CI,8CI); 4-Methyl-2-oxopentanoic acidmethyl ester; Methyl 2-oxoisocaproate; Methyl 4-methyl-2-oxopentanoate

Chemical Property of 4-Methyl-2-oxopentanoic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.748mmHg at 25°C
• Boiling Point: 184°C at 760 mmHg
• Flash Point: 66.9°C
• PSA: 43.37000
• Density: 0.993g/cm³
• LogP: 0.77460

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-Methyl-2-oxopentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Methyl-2-oxopentanoic acid methyl ester

There total 1 articles about 4-Methyl-2-oxopentanoic acid methyl ester 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:

methyl 2-diazo-4-methylpentanoate (95205-13-3) → methyl (2E)-4-methylpent-2-enoate (20515-15-5) + 2-hydroxy-4-methylvaleric acid methyl ester (40348-72-9) + 4-methyl-2-oxo-pentanoic acid methyl ester (3682-43-7) + 4-methyl-(Z)-2-pentenoic acid, methyl ester (20515-16-6) + methyl 2-iodo-4-methylpentanoate (1107650-17-8) + methyl 2,2-diiodo-4-methylpentanoate (1107650-18-9) + (E)-2-Iodo-4-methyl-2-pentenoic acid, methyl ester (137117-47-6) + (Z)-2-Iodo-4-methyl-2-pentenoic acid, methyl ester (137117-68-1)

Guidance literature:

With tert.-butylnitrite; water; iodine; acetic acid; In dichloromethane; at 0 - 20 ℃; Reagent/catalyst; Reactivity; Mechanism; Inert atmosphere; Darkness;

DOI:10.1002/poc.1420

Reference yield: 97.0%

4-methyl-2-oxo-pentanoic acid methyl ester (3682-43-7) → 4-methyl-2-oxopentanoic acid (816-66-0)

Guidance literature:

With water; sodium hydroxide; In methanol; at 0 - 60 ℃; for 1.5h;

DOI:10.1002/ejoc.202000294

Reference yield:

4-methyl-2-oxo-pentanoic acid methyl ester (3682-43-7) + trimetylsilylketene (4071-85-6) → (2S)-2-isobutyl-4-oxo-oxetane-2-carboxylic acid methyl ester + (2R)-2-isobutyl-4-oxo-oxetane-2-carboxylic acid methyl esteer

Guidance literature:

4-methyl-2-oxo-pentanoic acid methyl ester; trimetylsilylketene; [Cu((S,S)-((CH₃)3CCHCH₂OCN)2C(CH₃)2)](SbF₆)2; In dichloromethane; at -50 ℃; for 24h;

With potassium fluoride; In acetonitrile; at 20 ℃; for 0.333333h; Further stages. Title compound not separated from byproducts.;

DOI:10.1021/ol016096z

upstream raw materials:

methyl 2-diazo-4-methylpentanoate

Downstream raw materials:

(R)-2-((S)-Benzoylamino-dimethylcarbamoyl-methyl)-2-hydroxy-4-methyl-pentanoic acid methyl ester

(R)-2-((R)-Benzoylamino-dimethylcarbamoyl-methyl)-2-hydroxy-4-methyl-pentanoic acid methyl ester

4-methyl-(Z)-3-isobutylidene-(Z)-6-benzylidene-2,5-piperazinedione

(E)-3-isobutylidene-4-methyl-2,5-piperazinedione

Refernces