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3-butylquinazoline-2,4(1H,3H)-dione is a chemical compound with the molecular formula C11H12N2O2. It is a derivative of quinazoline, a tricyclic aromatic organic compound with a core structure consisting of a benzene ring fused to a pyrazine ring. The compound is characterized by the presence of a butyl group attached to the third carbon of the quinazoline ring and two carbonyl groups at the second and fourth positions. This specific arrangement of functional groups gives 3-butylquinazoline-2,4(1H,3H)-dione unique chemical properties and potential applications in various fields, such as pharmaceuticals and materials science.

6944-59-8

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6944-59-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6944-59-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,4 and 4 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 6944-59:
(6*6)+(5*9)+(4*4)+(3*4)+(2*5)+(1*9)=128
128 % 10 = 8
So 6944-59-8 is a valid CAS Registry Number.

6944-59-8SDS

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 3-butyl-1H-quinazoline-2,4-dione

1.2 Other means of identification

Product number -
Other names 3-butyl-1H,3H-quinazoline-2,4-dione

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 -
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More Details:6944-59-8 SDS

6944-59-8Relevant academic research and scientific papers

Design, synthesis, biological evaluation, and molecular docking study of thioxo-2,3-dihydroquinazolinone derivative as tyrosinase inhibitors

Adibi, Hossein,Asgari, Mohammad Sadegh,Attarroshan, Mahshid,Farid, Sara Moghadam,Hamedifar, Haleh,Hosseini, Samanesadat,Iraji, Aida,Kabiri, Maryam,Khoshneviszadeh, Mehdi,Larijani, Bagher,Mahdavi, Mohammad,Moayedi, Seyedeh Sara,Moazzam, Ali,Pirhadi, Somayeh,Sakhteman, AmirHossein,Sepehri, Nima

, (2022/01/11)

Tyrosinase is known to be a key enzyme in melanogenesis and hyperpigmentation. In this study, a series of thioxo-dihydroquinazolinone compounds were designed and synthesized as tyrosinase inhibitors. Among the investigated compounds, 4m demonstrated the best inhibitory activity with an IC50 value of 15.48 μM compared to kojic acid as a positive control with IC50 value of 9.30 μM. In kinetic evaluation against tyrosinase, 4m depicted a mixed inhibition pattern. Additionally, antioxidant evaluations exhibited moderate to weak potency in 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The detailed interactions and binding mode toward tyrosinase of the most potent derivative were explicated by molecular docking study. Moreover, the computer-aided drug-likeness and pharmacokinetic studies were also carried out.

Pd(ii)-Catalyzed [4 + 1 + 1] cycloaddition of simple: O -aminobenzoic acids, CO and amines: Direct and versatile synthesis of diverse N -substituted quinazoline-2,4(1 H,3 H)-diones

Ding, Qianqian,Fan, Xuesen,Wang, Jinjun,Yang, Jingyi,Zhang, Guisheng,Zhang, Xiaopeng

, p. 526 - 535 (2021/01/28)

The mild, efficient, and straightforward synthesis of pharmaceutically and biologically active N3-substituted and N1,N3-disubstituted quinazoline-2,4-(1H,3H)-diones from simple and readily available substrates has been a huge challenge. Described here is a Pd(ii)-catalyzed [4 + 1 + 1] modular synthesis of diverse quinazoline-2,4-(1H,3H)-diones through one-pot cascade reactions of cyclocondensation of o-(alkyl)aminobenzoic acids with CO, amidation of the intermediate isatoic anhydrides with amines, and unprecedented carbonylation of the resulting o-aminobenzamides with CO under 1 atm and 60 °C conditions. The chemoselective and versatile multicomponent reaction allows for the diversities of the products including N3-substituted and N1,N3-disubstituted products, and even makes the substituents on N1,N3 the same or different from each other, which cannot be achieved by most traditional synthetic strategies. This journal is

Method for synthesizing quinazoline-2, 4 (1H, 3H)-diketone compound

-

Paragraph 0016-0021, (2020/12/30)

The invention discloses a method for synthesizing a quinazoline-2, 4 (1H, 3H)-diketone compound, and belongs to the technical field of synthesis of nitrogen-containing heterocyclic compounds. According to the technical scheme, the method is characterized in that an anthranilic acid compound and an amine compound serve as reaction raw materials, CO serves as a carbonylation reagent, Pd (II) servesas a catalyst, KI or KI/AcOH serves as an additive, Cu (OAc) 2 or O2 or Cu (OAc) 2/O2 serves as an oxidizing agent, and the target product quinazoline-2, 4 (1H, 3H)-diketone compound is prepared through a one-pot multi-component reaction. The method has the advantages of simple and easily available raw material, short synthesis route, high atom economy and step economy, mild reaction conditions, diversified product structures, high yield of most target products and the like.

Design, synthesis, and biological activity of certain quinazolinedione derivatives as potent phosphodiestrase4 inhibitors

Elansary, Afaf K.,Kadry, Hanan H.,Ahmed, Eman M.,Sonousi, Amr Sayed Motawi

, p. 3557 - 3567 (2013/02/25)

In this study, a series of 3-βutylquinazolinedione linked with different substituent to N1 of quinazoline nucleus have been synthesized. Some of the new final compounds tested in vitro for their inhibitory activity against phosphodiestrase 4B which is the enzyme responsible for the hydrolysis of cyclic adenosine mono phosphate, the second messenger involved in the regulation of important cell functions. Compound 7f (100%) showed inhibition better than rolipram (90%), while the other tested compounds showed moderate activity. Docking study has been done to rationalize the obtained biological results. Springer Science+Business Media, LLC 2011.

Molybdenum-mediated synthesis of quinazolin-4(3H)-ones via cyclocarbonylation using microwave irradiation

Roberts, Bryan,Liptrot, David,Luker, Tim,Stocks, Michael J.,Barber, Catherine,Webb, Nicola,Dods, Robert,Martin, Barrie

supporting information; experimental part, p. 3793 - 3796 (2011/08/06)

A new, efficient and practical synthesis of quinazolin-4(3H)-ones is reported via molybdenum-mediated cyclocarbonylation using microwave irradiation. These methods allow access to a wide range of quinazolin-4(3H)-ones in reasonable yields without the need for gaseous carbon monoxide and palladium catalysts. A range of reactions illustrating the wide scope of this chemistry was carried out and all proceeded in reasonable yields.

Metal and phosgene-free synthesis of 1H-quinazoline-2,4-diones by selenium-catalyzed carbonylation of o-nitrobenzamides

Wu, Xiaowei,Yu, Zhengkun

experimental part, p. 1500 - 1503 (2010/04/29)

1H-Quinazoline-2,4-diones were efficiently synthesized by selenium-catalyzed carbonylation of o-nitrobenzamides under relatively mild conditions. In situ-generated carbonyl selenide (SeCO) is proposed to initiate the catalytic carbonylation. Thus, a concise transition metal and phosgene-free synthetic route to potentially bioactive-substituted 1H-quinazoline-2,4-dione derivatives has been developed.

Traceless synthesis of quinazoline-2,4-diones by curtius rearrangement reaction using poly(ethylene glycol) as soluble polymeric support

Huang, Yanling,Lu, Cuifen,Chen, Zuxing,Yang, Guichun

, p. 1421 - 1424 (2008/09/19)

(Chemical Equation Presented) We have developed an efficient method to synthesize various quinazoline-2,4-diones using polyethylene glycol) as soluble polymeric support. The procedure of this reaction included: formation of acyl azide, efficient Curtius rearrangement, nucleophlic addition with amines to produce ureas, cyclization and concurrent cleavage of the resulted six-membered heterocycle from PEG-support in excellent yields. This method is mild and manipulation is easy.

Tandem palladium-catalyzed urea arylation-intramolecular ester amidation: Regioselective synthesis of 3-alkylated 2,4-quinazolinediones

Willis, Michael C.,Snell, Robert H.,Fletcher, Anthony J.,Woodward, Robert L.

, p. 5089 - 5091 (2007/10/03)

(Chemical Equation Presented) o-Halo benzoates can be combined with monoalkyl ureas in a tandem palladium-catalyzed arylation-ester amidation sequence to deliver quinazolinedione products. The reactions are regioselective for formation of the 3-N-alkyl isomers. Significant variation of both coupling partners is possible, allowing the synthesis of a diverse array of substituted quinazolinediones, exemplified by the preparation of a simple unsymmetric-dialkylated natural product.

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