21139-18-4

Basic information

• Product Name: 2(1H)-Pyrimidinone, 4,6-dimethyl-1-phenyl-
• CAS NO: 21139-18-4
• Molecular Formula: C12H12N2O
• Molecular Weight: 200.24
• Mol File: 21139-18-4.mol

Chemical Properties

• CAS DataBase Reference: 2(1H)-Pyrimidinone, 4,6-dimethyl-1-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 2(1H)-Pyrimidinone, 4,6-dimethyl-1-phenyl-(21139-18-4)
• EPA Substance Registry System: 2(1H)-Pyrimidinone, 4,6-dimethyl-1-phenyl-(21139-18-4)

Safety Data

• Hazardous Substances Data: 21139-18-4(Hazardous Substances Data)

Upstream product

• 1118-66-7 4-Aminopent-3-en-2-one 
• 103-72-0 phenyl isothiocyanate 
• 74359-94-7 1-oxo-1-phenyl-4,6-dimethyl-1,2,3,6-tetrahydropyrimidine 
• 64-10-8 phenyl carbamate 
• 123-54-6 acetylacetone 
• 61404-64-6 6-methyl-1-phenyl-4-propylpyrimidin-2(1H)-one 
• 90128-43-1 2-phenylimino-4-(N'-propylureido)pent-3-ene 
• 83786-49-6 4-(3-ethoxypropyl)-6-methyl-1-phenylpyrimidin-2(1H)-one 
• 74152-15-1 2-oxo-1-phenyl-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine 

Downstream Products

• 83786-46-3 4,6-Dimethyl-3-phenyl-4-(tetrahydro-furan-2-yl)-3,4-dihydro-1H-pyrimidin-2-one 
• 68230-25-1 4,6-dimethyl-3-phenyl-1,3-diaza-bicyclo[2.2.0]hex-5-en-2-one 
• 117620-52-7 4,6-Dimethyl-3-phenyl-4-(9H-xanthen-9-yl)-3,4-dihydro-1H-pyrimidin-2-one 
• 61404-63-5 4-methyl-1-phenyl-6-propylpyrimidin-2(1H)-one 
• 78072-13-6 4,6-dimethyl-3-phenyl-5-phenylthio-1,3-diazabicyclo<2.2.0>hexan-2-one 
• 93269-33-1 4-Methyl-1-phenyl-6-(2-p-tolyl-ethyl)-1H-pyrimidin-2-one 
• 93238-54-1 4-Methyl-6-[1-(4-methyl-benzyl)-2-p-tolyl-ethyl]-1-phenyl-1H-pyrimidin-2-one 
• 93238-51-8 6-[2-(4-Bromo-phenyl)-ethyl]-4-methyl-1-phenyl-1H-pyrimidin-2-one 
• 93238-55-2 6-[1-(4-Bromo-benzyl)-2-(4-bromo-phenyl)-ethyl]-4-methyl-1-phenyl-1H-pyrimidin-2-one 
• 90128-43-1 2-phenylimino-4-(N'-propylureido)pent-3-ene 
• 77942-36-0 4-ethyl-4,6-dimethyl-1-phenyl-3,4-dihydropyrimidin-2(1H)-one 
• 77942-35-9 6-ethyl-4,6-dimethyl-1-phenyl-3,6-dihydropyrimidin-2(1H)-one 
• 34928-12-6 4,4,6-trimethyl-1-phenyl-1,4-dihydropyrimidine-2(3H)-one 
• 58544-49-3 3,6-dihydro-4,6,6-trimethyl-1-phenyl-2-(1H)pyrimidinone 

Relevant articles and documents

Crystal engineering of neutral N-arylpyrimidinones and their HCI and HNO3 adducts with a C-H···O supramolecular synthon. Implications for non-linear optics

In a previous crystallographic study of some N-arylpyrimidinones 1, we noted that: (1) C-H···O hydrogen bonds connect molecules in a linear array; (2) the charge transfer axis of the chromophore is aligned with the main symmetry operator of point groups 2

Photochemistry of Pyrimidin-2(1H)-ones: Intramolecular γ-Hydrogen Abstraction by the Nitrogen of the Imino Group

Irradiation of 1-aryl-4-propyl- (1a) and 1-aryl-4-(3-ethoxypropyl)-6-methylpyrimidin-2(1H)-ones (1b-d) gave the photoelimination products, 1-aryl-4,6-dimethylpyrimidin-2(1H)-ones (2a-d), via intramolecular γ-hydrogen atom abstraction of the excited imino nitrogen of the starting pyrimidin-2(1H)-one (1), in addition to the 1,3-diazabicyclohex-5-en-2-ones (3a-d).The pyrimidin-2(1H)-ones (1f) and (1h), which have no γ-hydrogens at the C-4 position, underwent photochemical electrocyclization to give the 1,3-diazabicyclohex-5-en-2-ones (3f) and (3h) as the sole products.

Photochemical Ring Opening of Pyrimidin-2(1H)-ones. Part 2.

The photochemical reactions of 1-aryl-4,6-disubstituted pyrimidin-2(1H)-ones have been examined.Irradiation of 1-aryl-4,6-disubstituted pyrimidin-2(1H)-ones (1)-(6) in benzene in the presence of primary or secondary amines gave arylimine products(10)-(15)

PHOTOCHEMICAL REACTION OF PYRIMIDIN-2(1H)-ONES: INTER- AND INTRAMOLECULAR HYDROGEN ABSTRACTION BY THE NITROGEN OF IMINO GROUP

Irradiation of 1-methyl-4,6-diphenylpyrimidin-2(1H)-one (1a) in acyclic or cyclic ethers afforded the C-C bonded 1:1-adducts (2a-c) of 1a and ether via intermolecular hyrogen abstraction of the excited imino nitrogen of 1a, while irradiation of 1-phenyl-4-(3-ethoxypropyl)-6-methylpyrimidin-2(1H)-one (1g) gave 1-phenyl-4,6-dimethylpyrimidin-2(1H)-one (1d) via intramolecular hydrogen abstraction of the excited imino nitrogen of 1g, in addition to 2-oxo-1,3-diazabicyclohex-5-ene derivative (3g).

FACILE OXIDATION OF 2-OXO-1,4,6-TRISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIMIDINES WITH CHLORANIL

2-Oxo-1,4,6-trisubstituted 1,2,3,6-tetrahydropyrimidines (1a-1h) were easily oxidized with 2,3,5,6-tetrachloro-1,4-benzoquinone (chloranil) to afford the corresponding 1,4,6-trisubstituted 2(1H)-pyrimidones (2) in good yields.