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Propanedinitrile, also known as [(4-nitrophenyl)methyl]-, is a chemical compound with the molecular formula C9H6N4O2. It is a derivative of propanedinitrile, featuring a 4-nitrophenyl group attached to the propanedinitrile backbone. Propanedinitrile, [(4-nitrophenyl)methyl]- is characterized by its yellow crystalline appearance and is soluble in organic solvents such as ethanol and acetone. It is primarily used in the synthesis of various pharmaceuticals and chemical intermediates due to its unique structure and reactivity. The compound's properties, such as its nitro group and cyano groups, make it a valuable building block in the development of new chemical entities with potential applications in the fields of medicine, agriculture, and materials science.

6731-53-9

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6731-53-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6731-53-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,7,3 and 1 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 6731-53:
(6*6)+(5*7)+(4*3)+(3*1)+(2*5)+(1*3)=99
99 % 10 = 9
So 6731-53-9 is a valid CAS Registry Number.

6731-53-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[(4-nitrophenyl)methyl]propanedinitrile

1.2 Other means of identification

Product number -
Other names <4-Nitro-benzyl>-malononitril

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:6731-53-9 SDS

6731-53-9Relevant academic research and scientific papers

Cascade Knoevenagel condensation-chemoselective transfer hydrogenation catalyzed by Pd nanoparticles stabilized on amine-functionalized aromatic porous polymer

Puthiaraj, Pillaiyar,Yu, Kwangsun,Baeck, Sung-Hyeon,Ahn, Wha-Seung

, p. 298 - 307 (2019/09/13)

An aromatic porous polymer incorporated with carbonyl functionality (APP) was prepared via a facile route of Friedel-Crafts reaction. Subsequent reaction with diethylenetriamine via Schiff-base chemistry produced the amine-functionalized porous polymer (D

Enhancing catalytic performance via structure core-shell metal-organic frameworks

Gong, Yanyan,Yuan, Ye,Chen, Cheng,Zhang, Pan,Wang, Jichao,Khan, Anish,Zhuiykov, Serge,Chaemchuen, Somboon,Verpoort, Francis

, p. 371 - 379 (2019/07/03)

A core-shell structure metal-organic framework based on the Zr clusters bridging with BDC linkers (UiO-66) as a core-structure and BPYDC linkers (UiO-67-BPY) as a shell-structure was developed (UiO-67-BPY@UiO-66). The combination of several techniques suc

Synthesis and biocatalytic ene-reduction of Knoevenagel condensation compounds by the marine-derived fungus Penicillium citrinum CBMAI 1186

Jimenez, David E.Q.,Ferreira, Irlon M.,Birolli, Willian G.,Fonseca, Luis P.,Porto, André L.M.

, p. 7317 - 7322 (2016/10/29)

The chemoselective bioreduction of α,β-unsaturated compounds is an important synthetic tool that can have applications in the synthesis of many fine chemicals and pharmaceutical molecules. The synthesis of aromatic malononitrile derivatives through Knoevenagel condensation by microwave radiation under green chemistry conditions using methanol like solvent, free base and free catalyst is here reported. In addiction the biocatalytic reduction of the C–C double bond of aromatic malononitrile derivatives by whole cells of the marine-derived fungal Penicillium citrinum CBMAI 1186 was also tested. The products catalyzed by the fungus ene-reductase were obtained in very good yields (up to >98%).

Base-Promoted Cascade Approach for the Preparation of Reduced Knoevenagel Adducts Using Hantzsch Esters as Reducing Agent in Water

He, Tao,Shi, Ronghua,Gong, Yimou,Jiang, Guangyou,Liu, Ming,Qian, Shan,Wang, Zhouyu

supporting information, p. 1864 - 1869 (2016/07/16)

A cascade Knoevenagel condensation-reduction approach, which was carried out in water, has been reported. Using Hantzsch esters as reducing agent, under the promotion of base, a variety of reduced Knoevenagel adducts could be easily prepared by direct alkylation of malononitrile, ethyl 2-cyanoacetate, and 2-(4-nitrophenyl)acetonitrile, respectively. Meanwhile, a gram-scale synthesis of the protocol was also realized with excellent isolated yield.

A convenient heterogeneous reduction of knoevenagel product by Hantzsch ester and its development into reductive alkylation of malononitrile

Yang, Yong-Qing,Lu, Zheng

, p. 650 - 653 (2014/07/22)

Poor solubility of Hantzsch ester is used as indicator in the reduction of methylidene malononitrile. The Knoevenagel reaction is integrated to develop a reductive alkylation of malononitrile with aryl and aliphatic aldehyde as the carbonyl substrate. Cop

Core-shell palladium nanoparticle@metal-organic frameworks as multifunctional catalysts for cascade reactions

Zhao, Meiting,Deng, Ke,He, Liangcan,Liu, Yong,Li, Guodong,Zhao, Huijun,Tang, Zhiyong

supporting information, p. 1738 - 1741 (2014/03/21)

Uniform core-shell Pd@IRMOF-3 nanostructures, where single Pd nanoparticle core is surrounded by amino-functionalized IRMOF-3 shell, are prepared by a facile mixed solvothermal method. When used as multifunctional catalysts, the Pd@IRMOF-3 nanocomposites exhibit high activity, enhanced selectivity, and excellent stability in the cascade reaction. Both experimental evidence and theoretical calculations reveal that the high catalytic performance of Pd@IRMOF-3 nanocomposites originates from their unique core-shell structures.

An efficient green multi-component reaction strategy for the synthesis of highly functionalised pyridines and evaluation of their antibacterial activities

Reddy, Lakkireddy Srinivasula,Reddy, Tirumalareddy Ram,Mohan, Reddy Bodireddy,Mahesh, Avula,Lingappa, Yeramanchi,Reddy, Nallagondu Chinna Gangi

, p. 1114 - 1120 (2014/01/06)

An efficient green multi-component reaction (MCR) method has been developed for the synthesis of 2-amino-4-aryl/heteroaryl-6-(pyridin-2-ylthio)pyridine-3, 5-dicarbonitrile(s) via a 3-component reaction of aryl aldehyde(s), malononitrile and 2-mercaptopyridine in the presence of K2CO 3 under solvent free reaction conditions (SFRC) using grinding technique at room temperature in a single step. The advantages of the present protocol is operationally simple, environmentally benign, solvent-free reaction conditions (SFRC), simple work up, excellent isolated yields of desired products and viable method for large scale applications in pharmaceutical industry. Interestingly, the synthesized compounds showed moderate to excellent antibacterial activities against Gram-positive and Gram-negative bacterial strains.

Study on comparison of reducing ability of three organic hydride compounds

Feng, Yi-Si,Yang, Chun-Yan,Huang, Qiang,Xu, Hua-Jian

experimental part, p. 5053 - 5059 (2012/07/28)

Selective reduction of three kinds of substrates were studied to evaluate the reducing abilities of N,N-dimethyl-benzimidazolidine (DMBI), 2-phenylbenzimidazoline (PBI) and 2-phenylbenzothiazoline (PBT). As hydride donors, these three five-membered heterocyclic compounds performed different reducing abilities depending on the substrates.

The synthesis of some derivatives based on the 4-Benzyl-1H-Pyrazole-3,5- Diamine core

Jedinak, Lukas,Krystof, Vladimir,Cankara, Petr

experimental part, p. 371 - 383 (2011/04/15)

The three-step synthesis of 4-benzyl-1H-pyrazole-3,5-diamines 2 from commercially available aldehydes 3 is given. The Knoevenagel condensation was utilized to assemble the initial carbon framework, resulting in the benzylidenemalononitriles 4 which were d

Rh-catalyzed one-pot reductive alkylation of malononitrile under transfer hydrogenation conditions

Wu, Jiashou,Jiang, Huajiang

experimental part, p. 1218 - 1226 (2011/05/04)

Efficient synthesis of monosubstituted malononitriles was achieved by one-pot reductive alkylation of malononitrile with carbonyl compounds via [Cp*RhCl2]2-catalyzed transfer hydrogenation reaction.

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