Methyl 3-methyl-2-oxobutanoate

Base Information

• Chemical Name: Methyl 3-methyl-2-oxobutanoate
• CAS No.: 3952-67-8
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID00498766
• Nikkaji Number: J109.264B
• Wikidata: Q82349035
• Mol file: 3952-67-8.mol

Synonyms:methyl 3-methyl-2-oxobutanoate;3952-67-8;methyl 3-methyl-2-oxobutyrate;MFCD12198846;Butanoic acid, 3-methyl-2-oxo-, methyl ester;methyl3-methyl-2-oxobutanoate;SCHEMBL271741;DTXSID00498766;NKWVBPZZQFOVCE-UHFFFAOYSA-N;AKOS015998101;3-methyl-2-oxo-butyric acid methyl ester;AS-31649;SY005234;FT-0753892;A873635

Chemical Property of Methyl 3-methyl-2-oxobutanoate

Chemical Property:

• Vapor Pressure: 2.228mmHg at 25°C
• Boiling Point: 161.852oC at 760 mmHg
• Flash Point: 56.313oC
• PSA: 43.37000
• Density: 1.012g/cm3
• LogP: 0.38450
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-methyl-2-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)C(=O)OC

Technology Process of Methyl 3-methyl-2-oxobutanoate

There total 3 articles about Methyl 3-methyl-2-oxobutanoate 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-Methyl-2-[(E)-1-phenyl-ethylimino]-butyric acid methyl ester (87670-12-0) → methyl 3-methyl-2-ketobutanoate (3952-67-8) + (S)-1-phenyl-ethylamine (2627-86-3) + (R)-1-phenyl-ethyl-amine (3886-69-9)

Guidance literature:

With sulfuric acid; In water; for 2h; Yield given; Ambient temperature;

DOI:10.1248/cpb.31.887

Reference yield:

→ methyl 3-methyl-2-ketobutanoate (3952-67-8) + oxalic acid (144-62-7,97993-78-7)

Guidance literature:

With potassium permanganate; at 0 ℃; oder mit Ozon-Sauerstoff-Gemisch bei 0-10grad;

Reference yield:

(3R,6S)-3,6-Dihydro-3-(1-hydroxy-1-methylethyl)-6-isopropyl-2,5-dimethoxypyrazin (84907-82-4) → L-Valine methyl ester (4070-48-8) + methyl 3-methyl-2-ketobutanoate (3952-67-8) + methyl (R)-β-fluorovalinate (88171-09-9,90527-92-7,1315053-29-2)

Guidance literature:

With hydrogenchloride; diethylamino-sulfur trifluoride; Yield given. Multistep reaction; 1.) dichlorometane, room temp., 1 h, 2.) 8 h;

DOI:10.1055/s-1983-30469

upstream raw materials:

(3R,6S)-3,6-Dihydro-3-(1-hydroxy-1-methylethyl)-6-isopropyl-2,5-dimethoxypyrazin

3-Methyl-2-[(E)-1-phenyl-ethylimino]-butyric acid methyl ester

Downstream raw materials:

methyl 2-hydroxy-3-methylbutanoate

3-methylbutane-1,2-diol

(6S)-7-Cyclohexyl-2-methyl-6-(N-triphenylmethyl)-amino-5-oxohept-2-ene-3-oic acid

methyl 2-(benzylamino)-3-methylbutanoate

Refernces

• 1、 Ikota,Achiwa,Yamada. "Stereochemical studies. LIX. Asymmetric transamination from (S)-α-amino acids. Synthesis of optically active amines by chemical transamination of (S)-α-amino acid esters to ketones". . p. 887 - 894. Retrieved 2007/10/02.