3-Methoxy-2-methyl-3-oxopropanoic acid

Base Information

• Chemical Name: 3-Methoxy-2-methyl-3-oxopropanoic acid
• CAS No.: 3097-74-3
• Molecular Formula: C5H8O4
• Molecular Weight: 132.116
• Hs Code.: 2918990090
• European Community (EC) Number: 830-780-5
• NSC Number: 175885
• DSSTox Substance ID: DTXSID10306363
• Nikkaji Number: J464.795E,J794.565E
• Mol file: 3097-74-3.mol

Synonyms:3-methoxy-2-methyl-3-oxopropanoic acid;3097-74-3;2-Methyl-malonic acid monomethyl ester;NSC175885;methoxycarbonyl propanoic acid;SCHEMBL225761;methyl malonic acid methyl ester;DTXSID10306363;LROWQPBZDXWPJW-UHFFFAOYSA-N;3-methoxy-2-methyl-3-oxopropanoate;MFCD00154582;3-methoxy-2-methyl-3-oxopropanoicacid;AKOS006381623;NSC-175885;SB36511;AS-66131;BB 0261897;CS-0072824;FT-0742845;C74590;EN300-1239522;F8885-3303

Chemical Property of 3-Methoxy-2-methyl-3-oxopropanoic acid

Chemical Property:

• Vapor Pressure: 0.0283mmHg at 25°C
• Refractive Index: 1.433
• Boiling Point: 227.3 °C at 760 mmHg
• PKA: 2.87±0.34(Predicted)
• Flash Point: 95.7 °C
• PSA: 63.60000
• Density: 1.205 g/cm³
• LogP: -0.11990
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 132.04225873
• Heavy Atom Count: 9
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

3-Methoxy-2-methyl-3-oxopropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)C(=O)OC

Technology Process of 3-Methoxy-2-methyl-3-oxopropanoic acid

There total 6 articles about 3-Methoxy-2-methyl-3-oxopropanoic acid 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: 94.0%

methyl-malonic acid dimethylester (609-02-9) → methyl malonic acid methyl ester (3097-74-3)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; at 0 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2008.05.007

Reference yield: 70.0%

methanol (67-56-1) + methyl-malonic acid dimethylester (609-02-9) → methyl malonic acid methyl ester (3097-74-3)

Guidance literature:

methanol; methyl-malonic acid dimethylester; With potassium hydroxide; In water; at 18 - 25 ℃;

With hydrogenchloride; In water;

DOI:10.1021/acs.orglett.9b02291

Reference yield: 47.0%

methanol (67-56-1) + Diethyl methylmalonate (609-08-5) → methyl malonic acid methyl ester (3097-74-3)

Guidance literature:

methanol; Diethyl methylmalonate; With potassium hydroxide; at 20 ℃;

With hydrogenchloride; In water; Acidic aqueous solution;

upstream raw materials:

methyl-malonic acid dimethylester

methanol

methyl-propanedioic acid

Diethyl methylmalonate

Downstream raw materials:

methyl<β-(2)H2>methacrylate

(E)-methyl 2-methyl-3-(p-methoxyphenyl)prop-2-enoate

methyl 2-methyl-3-(methyl(phenyl)amino)-3-oxopropanoate

methyl 3-((2-iodophenethyl)amino)-2-methyl-3-oxopropanoate

Refernces

• 1、 Condon, Sylvie,Le Gall, Erwan,Pichon, Christophe,Presset, Marc,Xavier, Tania. "Preparation of mono-substituted malonic acid half oxyesters (SMAHOs)". supporting information. p. 2085 - 2094. Retrieved 2021/09/02.
• 2、 Santra, Surojit,Maji, Ujjwal,Guin, Joyram. "Enantioselective α-Amination of Acyclic 1,3-Dicarbonyls Catalyzed by N-Heterocyclic Carbene". supporting information. p. 468 - 473. Retrieved 2020/02/04.