METHYL 2-KETOBUTYRATE, 96

Base Information

• Chemical Name: METHYL 2-KETOBUTYRATE, 96
• CAS No.: 3952-66-7
• Molecular Formula: C5H8 O3
• Molecular Weight: 116.117
• Hs Code.: 2918300090
• Mol file: 3952-66-7.mol

Synonyms:Butyricacid, 2-oxo-, methyl ester (7CI,8CI); 2-Oxobutanoic acid methyl ester; Methyl2-ketobutyrate; Methyl 2-oxobutanoate; Methyl 2-oxobutyrate; Methyl a-oxobutyrate

Chemical Property of METHYL 2-KETOBUTYRATE, 96

Chemical Property:

• Vapor Pressure: 4.54mmHg at 25°C
• Melting Point: -47 °C
• Refractive Index: 1.4099 (589.3 nm 30℃)
• Boiling Point: 72-74℃ (27 Torr)
• Flash Point: 50°C
• PSA: 43.37000
• Density: 1.039±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 0.13850
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethyl Acetate, Methanol

Purity/Quality:

99.9% ^*data from raw suppliers

2-OxobutanoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Oxobutanoic Acid Methyl Ester was found as a volatile constituent of curuba fruit and was screened for potential biological activity. Methyl 2-oxobutanoate can be used as a starting material:To synthesize indole derivatives via Fischer indolization of arylhydrazines using propylphosphonic anhydride.In the synthesis of (?)-picrotoxinin, a natural product and neurotoxic sesquiterpenoid.To prepare the core structure of phalarine, a natural product found in perennial grass.

Technology Process of METHYL 2-KETOBUTYRATE, 96

There total 20 articles about METHYL 2-KETOBUTYRATE, 96 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: 98.0%

methyl propanoyl acetate (30414-53-0) → methyl 2-oxobutanoate (3952-66-7)

Guidance literature:

With aluminum (III) chloride; Oxone; In water; at 20 ℃; for 0.166667h;

DOI:10.1021/jo4009047

Reference yield: 95.0%

amino-crotonic acid ethyl ester (71385-53-0) → methyl 2-oxobutanoate (3952-66-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.32.3934

Reference yield: 95.0%

aminocrotonic acid methyl ester (80612-98-2) → methyl 2-oxobutanoate (3952-66-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.32.3934

upstream raw materials:

methanol

methyl-oxo-succinic acid anhydride

diazomethane

2-Oxobutyric acid

Downstream raw materials:

methyl-2-(2-benzoylhydrazono)butyrate

methyl 2-oxobutanoate (5-carboxy-2-chlorophenyl)hydrazone

methyl 3-acetyl-2-ethyl-1,3-thiazolidine-2-carboxylate

4-benzyl 1-methyl 2-ethyl-2-hydroxybutanedioate

Refernces

• 1、 Endo, Kohei,Yakeishi, Sayuri,Takayama, Ryotaro,Shibata, Takanori. "Highly chemo-, enantio-, and regioselective synthesis of α,α-disubstituted furanones by Cu-catalyzed conjugate addition". supporting information. p. 8893 - 8897. Retrieved 2014/07/22.
• 2、 Rothman, Jeffrey H.. "Syntheses of heterocyclic ethenyl C-nucleosides for recognition of inverted base pairs within the DNA triple helix by stereoselective intramolecular cyclization and olefin metathesis". scheme or table. p. 925 - 928. Retrieved 2009/06/20.