Diethylmalonic acid

Base Information

• Chemical Name: Diethylmalonic acid
• CAS No.: 510-20-3
• Molecular Formula: C7H12 O4
• Molecular Weight: 160.17
• Hs Code.: 2917190090
• European Community (EC) Number: 208-111-8
• NSC Number: 1986
• UNII: QHT44LOC3W
• DSSTox Substance ID: DTXSID9060150
• Nikkaji Number: J6.259F
• Wikidata: Q419817
• Mol file: 510-20-3.mol

Synonyms:diethylmalonic acid;propanedioic acid, diethyl

Chemical Property of Diethylmalonic acid

Chemical Property:

• Vapor Pressure: 5.2E-05mmHg at 25°C
• Melting Point: 129-131 °C(lit.)
• Refractive Index: 1.4336 (estimate)
• Boiling Point: 323.8°Cat760mmHg
• PKA: pK1:2.151;pK2:7.417 (25°C)
• Flash Point: 163.9°C
• PSA: 74.60000
• Density: 1.2g/cm³
• LogP: 0.96200
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethylmalonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CCC(CC)(C(=O)O)C(=O)O
• Uses: Diethylmalonic acid is used in chemistry as a buffer with a capacity of pH values above 5.8.

Technology Process of Diethylmalonic acid

There total 21 articles about Diethylmalonic 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%

isopropylidene diethylmalonate (39623-07-9) → diethyl malonic acid (510-20-3)

Guidance literature:

With hydrogenchloride; for 0.0333333h; microwave irradiation;

Reference yield: 93.0%

diethyl diethylmalonate (77-25-8) → diethyl malonic acid (510-20-3)

Guidance literature:

diethyl diethylmalonate; With potassium hydroxide; In ethanol; water; Reflux;

With hydrogenchloride; In water; pH=1;

DOI:10.1021/acs.orglett.5b00131

Reference yield:

conc. H2 SO4 + water (7732-18-5) + diethyl diethylmalonate (77-25-8) → diethyl malonic acid (510-20-3)

Guidance literature:

With potassium hydroxide; In ethanol;

upstream raw materials:

diethylbarbituric acid

2-ethyl-2-(hydroxymethyl)butanal

ethyl iodide

diethyl malonate

Downstream raw materials:

diethylmalonic acid dimethyl ester

diethyl diethylmalonate

2-ethyl-N-phenylbutanamide

2-Ethylbutanoic acid

Refernces

• 1、 -. "COMPOUNDS AND USES". Page/Page column 21. . Retrieved 2019/11/04.
• 2、 -. "Phenylalanine derivatives". . . Retrieved 2008/06/13.