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1,3-diphenylpyrimidine-2,4,6(1H,3H,5H)-trione is a complex organic compound with the molecular formula C17H12N2O3. It is a derivative of pyrimidine, a heterocyclic aromatic organic compound consisting of a six-membered ring containing four carbon atoms and two nitrogen atoms. The compound is characterized by two phenyl groups attached to the 1st and 3rd positions of the pyrimidine ring, and three carbonyl groups (C=O) at the 2nd, 4th, and 6th positions. This structure endows the molecule with unique chemical and physical properties, making it a potential candidate for various applications in the fields of pharmaceuticals, materials science, and organic chemistry.

7391-60-8

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7391-60-8 Usage

Type of compound

Pyrimidine derivative

Common use

Precursor for the synthesis of pharmaceuticals and agrochemicals

Potential applications

a. Antiviral drugs
b. Antibacterial drugs
c. Antitumor drugs

Role in organic synthesis

Building block for various complex molecules

Check Digit Verification of cas no

The CAS Registry Mumber 7391-60-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,3,9 and 1 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 7391-60:
(6*7)+(5*3)+(4*9)+(3*1)+(2*6)+(1*0)=108
108 % 10 = 8
So 7391-60-8 is a valid CAS Registry Number.

7391-60-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-Diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

1.2 Other means of identification

Product number -
Other names 9.10-Dianilino-anthracen

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7391-60-8 SDS

7391-60-8Relevant academic research and scientific papers

Multi-purpose barbituric acid derivatives with aggregation induced emission

Zhang, Hanjun,Cui, Yuezhi,Tao, Furong,Zhang, Datong,Xu, Zhen,Guo, Li

, (2019)

Three D-π-A barbituric acid derivatives with simple structure and intramolecular charge transfer (ICT) mechanisms were synthesized. Molecular dynamics simulations have successfully explained that CB-1 exhibits the best aggregate induced emission (AIE) act

Data encryption-decryption based on crystal-induced emission enhancement (CIEE) properties of barbituric acid derivatives

Cui, Yuezhi,Tao, Furong,Xu, Zhen,Yu, William W.,Zhang, Datong,Zhang, Hanjun

, (2020/04/17)

Two barbituric acid derivatives of the similar color and fluorescence have been synthesized with aggregation induced emission (AIE) behaviour. Among them, CB-Ph exhibits crystallization-induced emission enhancement (CIEE) induced by ethanol. Molecular dynamics simulations show that the conformation of CB-Ph in the aggregated state is propeller-like, which prevents strong interaction between molecules and is beneficial to produce CIEE effect. Under the stimulation of dichloromethane (DCM), the solid CB-Ph changes from crystalline to amorphous, resultantly, the emission color of CB-Ph changes from yellow (554 nm) to orange (590 nm) and the emission intensity decreases by 91%. Furthermore, it was found that the emission color and intensity of CB-Ph can be restored by fumigation with ethanol. The crystalline state and amorphous state of CB-Ph can be converted into each other by the treatment with DCM and ethanol. CB-Me takes similar molecule structure to CB-Ph and shows the same emission wavelength with CB-Ph. However, it shows no change in emission color or intensity by the treatment with DCM or ethanol. Based on these two compounds, a new data encryption-decryption techniques developed, in which based on CIEE effect of CB-Ph is used as password ink due to CIEE effect and CB-Me is used as camouflage material without CIEE property.

Detection of nitroaromatics based on aggregation induced emission of barbituric acid derivatives

Zhang, Han-Jun,Tian, Yan,Tao, Fu-rong,Yu, William,You, Kai-Yue,Zhou, Lin-Rui,Su, Xi,Li, Tian-duo,Cui, Yue-Zhi

, (2019/06/21)

Barbituric acid derivatives with typical aggregation induced emission (AIE) are reported. Their emission wavelengths varied with water fraction of their solution. UV–visible absorption spectroscopy and theoretical calculations revealed the intramolecular

Barbituric acid derivative as well as preparation method and application thereof

-

Paragraph 0060-0063, (2019/08/01)

The invention provides a barbituric acid derivative as well as a preparation method and application thereof. The chemical structural formula is shown in the specification, and R is hydrogen, methyl orphenyl. The preparation method comprises the following

Pyrimidopteridine N-Oxide Organic Photoredox Catalysts: Characterization, Application and Non-Covalent Interaction in Solid State

Hauptmann, Richy,Petrosyan, Andranik,Fennel, Franziska,Argüello Cordero, Miguel A.,Surkus, Annette-E.,Pospech, Jola

supporting information, p. 4325 - 4329 (2019/03/29)

Herein we report the photo- and electrochemical characterization of pyrimidopteridine N-oxide-based heterocycles. The potential of their application as organic photoredox catalysts is showcased in the photomediated contra-thermodynamic E→Z isomerization of cinnamic acid derivatives and oxidative cyclization of 2-phenyl benzoic acid to benzocoumarin using molecular oxygen as a mild oxidant. Furthermore, unprecedented intermolecular non-covalent n–π-hole interactions in solid state are discussed based on crystallographic and theoretical data.

Development of a One-Pot Four C-C Bond-Forming Sequence Based on Palladium/Ruthenium Tandem Catalysis

Manick, Anne-Doriane,Berhal, Farouk,Prestat, Guillaume

supporting information, p. 194 - 197 (2018/01/17)

A one-pot four C-C bond-forming sequence has been developed using two distinct transition metal complexes. The sequence entails a double Pd-catalyzed allylic alkylation followed by a Ru-catalyzed ring-closing metathesis and a Pd-catalyzed Heck coupling. The use of various active methylene nucleophiles was examined with yields up to 76% (93% per C-C bond).

Enantioselective organocatalytic Michael additions of: N, N ′-dialkylbarbituric acids to enones

Liu, Ying,Zhang, Yongna,Duan, Hui-Xin,Wanyan, Dong-Yan,Wang, You-Qing

, p. 8669 - 8679 (2017/10/27)

N,N′-Dialkylbarbituric acids as cyclic malonamide donors were successfully used in the enantioselective Michael addition reaction of enones. Using cinchona alkaloid-based bifunctional squaramide as an organocatalyst, this Michael reaction of N,N′-di-tert-butylbarbituric acid with various enones features a highly enantioselective (91-99% ee) production of the corresponding optically active 5-substituted barbituric acid derivatives. The transformations of the Michael product for the barbituric acid structural unit were realized in two ways, deprotection to remove the N-tert-butyl group and alkylation to produce 5,5-disubstituted barbituric acid derivatives.

Synthesis of novel galactopyranosyl-derived spiro barbiturates

Ingle,Gaidhane,Dutta,Naha,Sengupta

, p. 661 - 671 (2007/10/03)

Malonic acid undergoes condensation readily with ureas to yield barbituric acids 2, which on bromination give 5,5-dibromobarbituric acids 3. Reaction of α-D-galactose with these 5,5-dibromo barbituric acids afforded 2,3-α-D-galactopyrano-1,4-dioxo-7,9-diaza-spiro[4,5]deca-6,8,10-triones 4. The structures of the products have been assigned on the basis of 1H NMR, 13C NMR, FAB-MS, optical activity, and elemental analysis. The title compounds are found to have antibacterial and antifungal activities.

5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO’2,3-D! PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER

-

Page/Page column 130, (2008/06/13)

The present invention relates to a pyrimidine compound represented by the following formula [I] wherein each symbol is as defined in the specification, a pharmaceutically acceptable salt thereof, and a pharmaceutical agent for the prophylaxis or treatment of a disease caused by undesirable cell proliferation, particularly an antitumor agent, which contains such compound. The compound of the present invention has superior undesirable cell proliferation suppressing action, particularly, an antitumor action, and is useful as an antitumor agent for the prophylaxis or treatment of cancer, antirheumatoid agent and the like. In addition, by the combined use with other antitumor agent such as alkylating agent, metabolism antagonist and the like, it can be a more effective antitumor agent.

Photoprotection compositions comprising certain chelating agents

-

, (2008/06/13)

The subject invention relates to methods and compositions comprising: a) from about 0.1% to about 5% of a compound having the structure selected from the group consisting of: STR1 wherein each R is independently selected from the group consisting of hydrogen, alkyl, and aryl; each R' is independently selected from the group consisting of hydrogen, alkoxy, and alkyl; Z and Z' are independently selected from the group consisting of NH, O, and CH2 such that when Z or Z' is NH, the other is not O; or a pharmaceutically acceptable salt of any of the aforementioned compounds; and b) a pharmaceutically-acceptable topical carrier.

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