2-Phenylmalonamide

Base Information

• Chemical Name: 2-Phenylmalonamide
• CAS No.: 10255-95-5
• Molecular Formula: C9H10 N2 O2
• Molecular Weight: 178.191
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00372653
• Nikkaji Number: J2.320.522J
• Wikidata: Q82160479
• Mol file: 10255-95-5.mol

Synonyms:2-PHENYLMALONAMIDE;10255-95-5;2-phenylpropanediamide;Propanediamide, 2-phenyl-;2-Phenylmalondiamide;phenylmalonamide;2-phenyl-malonamide;Maybridge1_000163;?2-PHENYLMALONAMIDE;MixCom1_000317;Oprea1_415238;SCHEMBL170040;DTXSID00372653;CPSUAFUQJBJMPO-UHFFFAOYSA-N;MFCD00051776;AKOS005203004;CS-W000363;AS-58593;FT-0613340;A896775

Chemical Property of 2-Phenylmalonamide

Chemical Property:

• Vapor Pressure: 7.54E-08mmHg at 25°C
• Melting Point: 233-235°C
• Boiling Point: 437.3°Cat760mmHg
• Flash Point: 218.3°C
• PSA: 86.18000
• Density: 1.262g/cm³
• LogP: 1.14140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.074227566
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

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

2-Phenylmalonamide 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenylmalonamide

There total 8 articles about 2-Phenylmalonamide 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: 97.0%

→ 2-phenylmalonamide (10255-95-5)

Guidance literature:

With ammonia; sodium; In methanol; 1.) 0 deg C, room temperature, 2-3 days;

DOI:10.1021/jo00149a002

Reference yield: 93.0%

dimethyl 2-phenylmalonate (37434-59-6) → 2-phenylmalonamide (10255-95-5)

Guidance literature:

With ammonia; In methanol;

Reference yield: 69.0%

diethyl 2-phenylmalonate (83-13-6) → 2-phenylmalonamide (10255-95-5)

Guidance literature:

With ammonium hydroxide; In methanol; at 20 ℃; for 72h;

DOI:10.1016/S1386-1425(03)00118-5

upstream raw materials:

pyridine

benzaldehyde

formamide

dimethyl 2-phenylmalonate

Downstream raw materials:

5-phenyl-1H-pyrimidine-4,6-dione

2-methyl-5-phenylpyrimidine-4,6-diol

5-phenylpyrimidine-4,6-diol

3-acetoxy-4-phenyl-pyrrole-2,5-dione

Refernces

• 1、 Zvilichovsky,Gurvich,Segev. "Synthesis and rearrangement of 2-oxo-3-phenylisoxazolo[2,3-a]pyrimidines". . p. 5250 - 5254. Retrieved 2007/10/02.
• 2、 Freudenreich, Charles,Samama, Jean-Pierre,Biellmann, Jean-Francois. "Design of Inhibitors from the Three-Dimensional Structure of Alcohol Dehydrogenase. Chemical Synthesis and Enzymatic Properties". . p. 3344 - 3353. Retrieved 2007/10/02.