Ethylmethylmalonic acid

Base Information

• Chemical Name: Ethylmethylmalonic acid
• CAS No.: 595-84-6
• Molecular Formula: C6H10O4
• Molecular Weight: 146.143
• Hs Code.: 2917190090
• European Community (EC) Number: 209-870-8
• NSC Number: 1163
• DSSTox Substance ID: DTXSID00208201
• Nikkaji Number: J96.139F
• Wikidata: Q83082303
• Mol file: 595-84-6.mol

Synonyms:Ethylmethylmalonic acid;595-84-6;2-ethyl-2-methylpropanedioic acid;Malonic acid, ethylmethyl-;Propanedioic acid, ethylmethyl-;2,2-Butanedicarboxylic acid;2-Ethyl-2-methylmalonic acid;NSC1163;NSC 1163;EINECS 209-870-8;Methylathylmalonsaure;SCHEMBL580509;2-ethyl-2-methylpropanedioicacid;DTXSID00208201;2-ethyl-2-methyl-propanedioic acid;NSC-1163;AKOS006381245;EN300-148502;Z1205493706

Chemical Property of Ethylmethylmalonic acid

Chemical Property:

• Vapor Pressure: 9.44E-05mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 315.3 °C at 760 mmHg
• PKA: pK1:2.86(0);pK2:6.41(+1) (25°C)
• Flash Point: 158.7 °C
• PSA: 74.60000
• Density: 1.25 g/cm³
• LogP: 0.57190
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

99.5% ^*data from raw suppliers

Ethylmethylmalonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C(=O)O)C(=O)O

Technology Process of Ethylmethylmalonic acid

There total 12 articles about Ethylmethylmalonic 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:

diethyl 2-ethyl-2-methylmalonate (2049-70-9) → 2-ethyl-2-methylmalonic acid (595-84-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo00975a003

Reference yield:

2-(hydroxymethyl)-2-methylbutanal (1112-47-6) → 2-ethyl-2-methylmalonic acid (595-84-6)

Guidance literature:

With oxygen; nitric acid; at 30 - 40 ℃;

Reference yield:

Ethyl-<2-oxo-ethyl>-malonsaeure-diethylester (3576-07-6) → 2-ethyl-2-methylmalonic acid (595-84-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tBu₂O₂

2: aq. NaOH

With sodium hydroxide; di-tert-butyl peroxide;

DOI:10.1021/jo00975a003

upstream raw materials:

oxalyl dichloride

iso-butyl chloroformate

2-ethyl-2-methyl-1,3-propanediol

2-(hydroxymethyl)-2-methylbutanal

Downstream raw materials:

2-Methylbutanoic acid

3-methylbutyric acid

methylammonium carbonate

(S)-2-Methylbutyric acid

Refernces