Ethylphenylmalonic acid

Base Information

• Chemical Name: Ethylphenylmalonic acid
• CAS No.: 1636-25-5
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• Hs Code.: 2917399090
• European Community (EC) Number: 216-663-6
• NSC Number: 49319
• UNII: KNV6UXU6A9
• DSSTox Substance ID: DTXSID60167623
• Nikkaji Number: J195.268D
• Wikidata: Q83037033
• Mol file: 1636-25-5.mol

Synonyms:Ethylphenylmalonic acid;1636-25-5;2-ethyl-2-phenylmalonic acid;2-ethyl-2-phenylpropanedioic acid;KNV6UXU6A9;Propanedioic acid, 2-ethyl-2-phenyl-;EINECS 216-663-6;NSC-49319;UNII-KNV6UXU6A9;Malonic acid, ethylphenyl-;ethyl(phenyl)propanedioic acid;Propanedioic acid, ethylphenyl-;SCHEMBL2291949;2-ethyl-2-phenylpropanedioicacid;DTXSID60167623;2-Ethyl-2-phenyl-propanedioic acid;NSC49319;NSC 49319;STL356015;AKOS015995624;CS-0295762;EN300-371186

Chemical Property of Ethylphenylmalonic acid

Chemical Property:

• Vapor Pressure: 2.36E-06mmHg at 25°C
• Boiling Point: 377°Cat760mmHg
• Flash Point: 196°C
• PSA: 74.60000
• Density: 1.286g/cm³
• LogP: 1.50360
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

ethyl(phenyl)malonicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)(C(=O)O)C(=O)O

Technology Process of Ethylphenylmalonic acid

There total 12 articles about Ethylphenylmalonic 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: 44.0%

diethyl ethyl(phenyl)malonate (76-67-5) → (ethyl)phenylmalonic acid (1636-25-5)

Guidance literature:

With sodium hydroxide; for 18h; Heating;

DOI:10.1071/CH9820795

Reference yield:

diethyl ethyl(phenyl)malonate (76-67-5) → (ethyl)phenylmalonic acid (1636-25-5) + 2-Phenylbutyric acid (90-27-7)

Guidance literature:

With potassium hydroxide; In water; for 17h; Heating;

Reference yield:

phenobarbital (50-06-6) → (ethyl)phenylmalonic acid (1636-25-5)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

phenobarbital

mephobarbital

diethyl ethyl(phenyl)malonate

phenylmalonic acid

Downstream raw materials:

2-ethyl-2-phenylmalonyldichloride

5-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione

Aethyl-phenyl-malonyl-bis-trifluoracetat

phenobarbital

Refernces

• 1、 Krapcho,Kashdan. "-". . p. 707. Retrieved 1975.
• 2、 Fadel,Garcia-Argote. "Asymmetric construction of benzylic quaternary carbons from chiral malonates: Formal synthesis of both (-)- and (+)-aminoglutethimides AG and analogues". . p. 1159 - 1166. Retrieved 2007/10/03.
• 3、 Cowden,Jacobsen. "Pyrimidine N-oxides. IV. The N,N'-dihydroxy derivatives of phenobarbital and veronal". . p. 795 - 797. Retrieved 2007/10/02.