10255-95-5

Basic information

• Product Name: 2-PHENYLMALONAMIDE
• Synonyms: 2-PHENYLMALONAMIDE;2-phenylmalondiamide
• CAS NO: 10255-95-5
• Molecular Formula: C₉H₁₀N₂O₂
• Molecular Weight: 178.19
• EINECS: -0
• Mol File: 10255-95-5.mol

Chemical Properties

• Melting Point: 233-235°C
• Boiling Point: 437.3°Cat760mmHg
• Flash Point: 218.3°C
• Appearance: /
• Density: 1.262g/cm³
• Vapor Pressure: 7.54E-08mmHg at 25°C
• Refractive Index: 1.589
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2446518
• CAS DataBase Reference: 2-PHENYLMALONAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PHENYLMALONAMIDE(10255-95-5)
• EPA Substance Registry System: 2-PHENYLMALONAMIDE(10255-95-5)

Safety Data

• Safety Statements: 22-24/25
• Hazardous Substances Data: 10255-95-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-Phenylmalonamide is used as a key intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its reactivity and stability make it an essential component in the creation of organic compounds with potential medicinal applications.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Phenylmalonamide is utilized as a precursor in the synthesis of various agrochemicals, including pesticides and herbicides. Its role in these applications aids in enhancing crop protection and increasing agricultural productivity.
Used in Dye Industry:
2-Phenylmalonamide is employed as a building block in the production of dyes, where its chemical properties contribute to the development of a wide range of colorants used in various industries, such as textiles, plastics, and printing inks.
Used in Organic Synthesis:
As a versatile chemical compound, 2-Phenylmalonamide is used as a building block in organic synthesis, enabling the creation of a diverse array of organic compounds for various applications across different industries. Its reactivity and stability are crucial for the synthesis of complex organic molecules.

InChI:InChI=1/C9H10N2O2/c10-8(12)7(9(11)13)6-4-2-1-3-5-6/h1-5,7H,(H2,10,12)(H2,11,13)

Upstream product

• 37434-59-6 dimethyl 2-phenylmalonate 
• 591-50-4 iodobenzene 
• 108-13-4 malonodiamide 
• 878-88-6 5-Amino-4-phenylisoxazol-3-one 
• 83-13-6 diethyl 2-phenylmalonate 
• 110-86-1 pyridine 
• 100-52-7 benzaldehyde 
• 77287-34-4 formamide 

Downstream Products

• 22275-34-9 5-phenyl-2,4,6-pyrimidinetrione 
• 3602-98-0 2-methyl-5-phenylpyrimidine-4,6-diol 
• 18337-64-9 5-phenylpyrimidine-4,6-diol 
• 99970-25-9 3-acetoxy-4-phenyl-pyrrole-2,5-dione 
• 83845-20-9 α-Amino-α-cyanophenylacetonitrile 
• 83845-23-2 α-Amino-α-cyanophenylacetonitrile p-toluenesulfonate 
• 83845-09-4 4-Amino-8-phenylimidazo<1,5-a>-1,3,5-triazine 
• 83845-27-6 α-Cyano-α-<(methoxymethylene)amino>phenylacetonitrile 
• 83845-05-0 5-Amino-4-cyano-4-phenyl-4H-imidazole 
• 5247-17-6 Phenyl-tricyanmethan 
• 885948-54-9 1-[(2-acetoxyethoxy)methyl]-4-hydroxy-5-phenylpyrimidin-6(1H)-one 
• 18337-64-9 4-hydroxy-5-phenylpyrimidin-6(1H)-one 
• 3041-40-5 2-phenylmalononitrile 
• 13032-11-6 1,3-Diphenyl-1,1,3,3-tetracarbamoyl-propan 

Relevant articles and documents

The conversion of phenylpropanedinitrile (phenylmalononitrile) into the carbanion, followed by IR spectra, ab initio and DFT force field calculations.

The spectral and structural changes, caused by the conversion of phenylpropanedinitrile (phenylmalononitrile) into the carbanion, have been followed by IR spectra, ab initio HF, MP2 and DFT BLYP force field calculations. In agreement between theory and ex

Synthesis and rearrangement of 2-oxo-3-phenylisoxazolo[2,3-a]pyrimidines

2-Oxo-3-phenylisoxazole[2,3-a]pyrimidine derivatives were synthesized by the reaction of 3-amino-4-phenyl-5-isoxazolone with malonaldehyde tetraacetal, 3-oxobutyraldehyde diacetal, 2,4-pentanedione, and 1-phenyl-1,3-butanedione. The regioselectivity of this reaction was determined by X-ray single crystal structural analysis. Upon heating either in water or in ethanol this bicyclic system underwent a ring opening, followed by decarboxylation to yield phenylpyrimidylmethanol and phenylpyrimidyl ethers. The structures of these 2-oxoisoxazolo[2,3-a]pyrimidines and the mechanism of their rearrangement is discussed.

Photoelectron Spectra and Molecular Properties, 110. Tricyanomethane Derivatives X-C(CN)3

The photoelectron spectra of tricyanomethane derivatives X-C(CN)3 with substituents X = H, CH3, Br and C6H5 have been recorded and are assigned based on MNDO calculations as well as on radical cation state comparison with the iso(valence)electronic P(CN)3

Design of Inhibitors from the Three-Dimensional Structure of Alcohol Dehydrogenase. Chemical Synthesis and Enzymatic Properties

Inhibitors of liver alcohol dehydrogenase were designed from the three-dimensional structure of the enzyme.The ligand to the catalytic zinc ion is an amide group or, better, a formamide group.With the latter function, a hydrogen bond between the NH group and the hydroxyl group of Ser-48 may be formed.The hydrophobic substrate binding site brings structural restraints. α-ω bifunctional molecules show good inhibitory properties possibly due to the interactions with polar residues at the entrance of the substrate binding site.

Translocative Rearrangements. Generality of the Formamidine-Induced Rearrangement of 4-Substituted 5-Amino-4-cyano-4H-imidazoles

The generality of two different courses of cyclisation reactions for 4-substituted 5-amino-4-cyano-4H-imidazoles (5) is demonstrated.One results from treatment of 5 with formamidine in a "translocative rearrangement" that leads to 8-substituted 4-aminoimi