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[1-(4-methylphenyl)ethylidene]propanedinitrile, with the molecular formula C13H11N3, is a chemical compound that serves as a high-purity building block for various industries, including pharmaceuticals, agrochemicals, and dyestuffs. It is a versatile compound known for its stability and high purity, making it a crucial reagent in organic chemistry.

3111-61-3

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3111-61-3 Usage

Uses

Used in Pharmaceutical Industry:
[1-(4-methylphenyl)ethylidene]propanedinitrile is used as a key intermediate for the synthesis of drugs, contributing to the development of new pharmaceutical products. Its high purity and stability make it an essential component in the creation of complex organic compounds for medicinal purposes.
Used in Agrochemical Industry:
In the agrochemical sector, [1-(4-methylphenyl)ethylidene]propanedinitrile is utilized as a vital building block for the production of various agrochemicals. Its role in synthesizing complex organic compounds aids in the development of innovative products for agricultural applications.
Used in Dyestuff Industry:
[1-(4-methylphenyl)ethylidene]propanedinitrile is employed as a key intermediate in the synthesis of dyestuffs, playing a significant role in the production of a wide range of colors and pigments for various applications, including textiles, plastics, and printing inks.
Used in Organic Chemistry Research:
Due to its stability and high purity, [1-(4-methylphenyl)ethylidene]propanedinitrile is also used as an important reagent in the field of organic chemistry, facilitating research and development of new compounds and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 3111-61-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,1,1 and 1 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 3111-61:
(6*3)+(5*1)+(4*1)+(3*1)+(2*6)+(1*1)=43
43 % 10 = 3
So 3111-61-3 is a valid CAS Registry Number.

3111-61-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[1-(4-methylphenyl)ethylidene]propanedinitrile

1.2 Other means of identification

Product number -
Other names 2-(1-p-tolylethylidene)malononitrile

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:3111-61-3 SDS

3111-61-3Relevant academic research and scientific papers

Asymmetric organocatalytic vinylogous Michael addition triggered triple-cascade reactions of 2-hydroxycinnamaldehydes and vinylogous nucleophiles: construction of benzofused oxabicyclo[3.3.1]nonane scaffolds

Wu, Hui-Chun,Wang, Chen,Chen, Ying-Han,Liu, Yan-Kai

supporting information, p. 1762 - 1765 (2021/02/27)

An organocatalytic vinylogous Michael addition triggered triple-cascade reaction has been developed. 2-Hydroxycinnamaldehydes worked under iminium activation with either acyclic or cyclic ketone-derived α,α-dicyanoalkenes, yielding the benzofused oxabicyclo[3.3.1]nonanes bearing one quaternary stereocenter with excellent stereoselectivities.

Synthesis, in vivo anti-inflammatory, COX-1/COX-2 and 5-LOX inhibitory activities of new 2,3,4-trisubstituted thiophene derivatives

Qandeel, Nermeen A.,El-Damasy, Ashraf K.,Sharawy, Maha H.,Bayomi, Said M.,El-Gohary, Nadia S.

, (2020/08/14)

New series of thiophene derivatives were synthesized and evaluated for their in vivo anti-inflammatory activity using carrageenan-induced paw edema model. The most active in vivo anti-inflammatory compounds 5b, 11b, 14c, 18c, 19c and 20d were further evaluated for their in vitro COX-1/COX-2 and 5-LOX inhibitory activities. The in vitro assay results revealed that the N-(4-(4-chlorophenyl)-3-cyanothiophen-2-yl)-2-morpholinoacetamide (5b) possesses the highest selectivity toward COX-2 (IC50 = 5.45 μM) with selectivity index value of 8.37 compared to celecoxib with COX-2 selectivity index value of 15.44. In addition, it showed acceptable 5-LOX inhibitory activity (IC50 = 4.33 μM) compared to NDGA (IC50 = 2.46 μM). Molecular modeling study was conducted to study the postulated binding of compound 5b into the active site of COX-2 and 5-LOX, and it revealed that 5b binds similarly to celecoxib and NDGA, respectively. Overall, the morpholinoacetamide-thiophene hybrid 5b could serve as a promising lead for further development of new potent anti-inflammatory agents that act as dual COX-2/5-LOX inhibitors.

A [5 + 1] annulation strategy for the synthesis of multifunctional biaryls and: P -teraryls from 1,6-Michael acceptor ketene dithioacetals

Althagafi, Ismail,Elagamy, Amr,Kumar, Abhinav,Pratap, Ramendra,Shally,Shaw, Ranjay

, p. 6407 - 6417 (2020/09/07)

A new type of ketene dithioacetal, 2-(3,3-bis-methylsulfanyl-1-arylallylidene)malononitriles containing 1,4 and 1,6-Michael acceptors, were synthesized to study their reactivity for the synthesis of a new molecular entity. We report a [5 + 1] annulation s

Transition metal free synthesis of multifunctional thiomethylated-benzenes from aryl/heteroaryl/cyclopropyl methyl ketones

Panwar, Rahul,Althagafi, Ismail,Shally,Shaw, Ranjay,Elagamy, Amr,Shah, Chandan,Yadav, Pratik,Pratap, Ramendra

, (2020/04/28)

A base-promoted strategic synthesis of various functionalized thiomethylated-benzenes has been established from aryl/heteroaryl/cyclopropyl methyl ketone. We can directly access the thiomethylated-benzene nucleus embedded with diverse functional group by

"on Water" Direct Catalytic Vinylogous Aldol Reaction of Silyl Glyoxylates

Pan, Hong,Han, Man-Yi,Li, Pinhua,Wang, Lei

, p. 14281 - 14290 (2019/11/03)

The unique reactivity of water in the direct catalytic vinylogous aldol reaction of silyl glyoxylates is reported. With the hydrogen-bonding networks from water, the unfavorable homogeneous reactions in organic solvents were severely suppressed, and the "

Chemoselective synthesis of m-teraryls through ring transformation of 2 H-pyran-2-ones by 2-(1-arylethylidene)-malononitriles

Panwar, Rahul,Shally,Shaw, Ranjay,Elagamy, Amr,Pratap, Ramendra

, p. 8994 - 9002 (2018/12/10)

We have developed a simple, efficient and chemoselective approach for the synthesis of m-teraryls by the reaction of 6-aryl-2-oxo-4-(sec.amino)-2H-pyran-3-carbonitriles and 2-(1-arylethylidene)malononitriles under basic conditions. We used 6-aryl-2-oxo-4-

Syntheses of donor-acceptor-functionalized dihydroazulenes

Broman, Soren Lindbaek,Jevric, Martyn,Bond, Andrew D.,Nielsen, Mogens Brondsted

, p. 41 - 64 (2014/01/17)

The dihydroazulene (DHA)/vinylheptafulvene (VHF) photo/thermoswitch has been of interest for use in molecular electronics and advanced materials. The switching between the two isomers has previously been found to depend strongly on the presence of donor a

Phosphine-catalyzed domino reaction: A novel sequential [2+3] and [3+2] annulation reaction of γ-substituent allenoates to construct bicyclic[3, 3, 0]octene derivatives

Li, Erqing,Huang, You

supporting information, p. 948 - 950 (2014/01/06)

We have successfully developed a novel and efficient phosphine-catalyzed sequential [2+3] and [3+2] annulation reaction of γ-substituent allenoates to construct bicyclic[3, 3, 0]octene derivatives. The protocol uses readily available γ-substituent allenoa

Solventless convenient synthesis of new cyano-2-aminopyridine derivatives from enaminonitriles

Villemin, Didier,Belhadj, Zahira,Cheikh, Nawel,Choukchou-Braham, Noureddine,Bar, Nathalie,Lohier, Jean-Fran?ois

, p. 1664 - 1668 (2013/03/28)

A synthesis of novel 4-substituted-3-cyano-2-aminopyridines using enaminonitriles and various primary amines was established under microwave irradiation and solvent-free conditions. Structures of the new compounds were characterized by IR, MS, 1/sup

Basic ionic liquid as catalyst for the efficient and green synthesis of 2-amino-3-nitrobenzonitriles in ethanol

Chen, Zhiwei,Ding, Kai,Su, Weike

experimental part, p. 1410 - 1420 (2011/06/11)

A basic ionic liquid, [BmIm]OH was used as catalyst in the cyclocondensation of various kinds of vinylmalononitriles with nitroolefins in ethanol at reflux. A series of 2-amino-3-nitrobenzonitriles were obtained in reasonable yields. The straightforward and green protocol was found to be fairly efficient, and the catalyst could be recycled and reused in subsequent reactions with consistent activity. The mechanism of the reaction was discussed.

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