Phenylethylmalonamide

Base Information

• Chemical Name: Phenylethylmalonamide
• CAS No.: 7206-76-0
• Deprecated CAS: 80147-40-6
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.244
• Hs Code.: 2924296000
• European Community (EC) Number: 230-583-9
• UNII: 67CFD7341W
• DSSTox Substance ID: DTXSID3025885
• Nikkaji Number: J125.795A
• Wikipedia: Phenylethylmalonamide
• Wikidata: Q3742460
• Metabolomics Workbench ID: 67687
• ChEMBL ID: CHEMBL249467
• Mol file: 7206-76-0.mol

Synonyms:2 Ethyl 2 Phenylmalonamide;2-Ethyl-2-Phenylmalonamide;Ethylphenylmalonamide;Phenylethylmalonamide;Phenylethylmalondiamide

Chemical Property of Phenylethylmalonamide

Chemical Property:

• Appearance/Colour: White Crystalline Solid
• Vapor Pressure: 5.66E-08mmHg at 25°C
• Melting Point: 120 °C
• Boiling Point: 440.9 °C at 760 mmHg
• PKA: 14.98±0.50(Predicted)
• Flash Point: 220.5 °C
• PSA: 86.18000
• Density: 1.183 g/cm³
• LogP: 1.70560
• Storage Temp.: Refrigerator
• Water Solubility.: <0.01 g/100 mL at 18℃
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyl-2-phenylmalonamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N
• Uses: A metabolite of Primidone

Technology Process of Phenylethylmalonamide

There total 9 articles about Phenylethylmalonamide 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: 68.0%

2-hydroxyprimidone (75524-08-2) → 2-ethyl-2-phenylmalonamide (7206-76-0,80147-40-6)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 8h;

DOI:10.1016/0223-5234(90)90165-Y

Reference yield:

pirimidone (125-33-7) → 2-ethyl-2-phenylmalonamide (7206-76-0,80147-40-6) + phenobarbital (50-06-6)

Guidance literature:

metabolism study in epileptic fowl;

Reference yield:

pirimidone (125-33-7) → 2-ethyl-2-phenylmalonamide (7206-76-0,80147-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 22 percent / CrO₃ / acetic acid / 0.17 h / 20 °C

2: 68 percent / NaOH / H₂O / 8 h / 20 °C

With chromium(VI) oxide; sodium hydroxide; In water; acetic acid;

DOI:10.1016/0223-5234(90)90165-Y

upstream raw materials:

3-ethyl-3-phenyl-azetidine-2,4-dione

phenobarbital

(rac)-2-Cyan-2-phenylbutanamid

diethyl ethyl(phenyl)malonate

Downstream raw materials:

pirimidone

5-ethyl-2-methoxy-5-phenyl-dihydro-pyrimidine-4,6-dione

2-ethyl-2-phenylmalononitrile

(rac)-2-Cyan-2-phenylbutanamid

Refernces

• 1、 Johnson,Davis. "Anticonvulsants in epileptic fowl". . p. 1753 - 1757. Retrieved 2007/10/02.