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Gamma-oxo-alpha-phenylbenzenebutyronitrile is a complex organic compound characterized by its unique molecular structure. It is a member of the nitriles class, featuring a benzene ring with a phenyl group attached to the alpha carbon and a butyronitrile functional group at the gamma carbon. gamma-oxo-alpha-phenylbenzenebutyronitrile is highly valued in chemical research and industrial processes due to its distinctive properties, making it a versatile chemical intermediate for organic synthesis and the production of a variety of compounds. However, it requires careful handling due to its potential hazards if mismanaged.

6268-00-4

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6268-00-4 Usage

Uses

Used in Chemical Research:
Gamma-oxo-alpha-phenylbenzenebutyronitrile is utilized as a research compound for studying its chemical properties and potential reactions with other substances. Its unique structure allows scientists to explore new pathways in organic chemistry and develop novel synthetic methods.
Used in Organic Synthesis:
As a key intermediate, gamma-oxo-alpha-phenylbenzenebutyronitrile is employed in the synthesis of various organic compounds. Its reactive functional groups facilitate multiple types of chemical reactions, contributing to the creation of new molecules with specific applications in different industries.
Used in Pharmaceutical Industry:
Gamma-oxo-alpha-phenylbenzenebutyronitrile is used as a chemical intermediate for the production of pharmaceuticals. Its structural features make it a valuable component in the development of new drugs, potentially leading to advancements in medicinal chemistry.
Used in Industrial Processes:
In various industrial applications, gamma-oxo-alpha-phenylbenzenebutyronitrile serves as a crucial intermediate in the manufacturing of specialty chemicals, agrochemicals, and other related products. Its versatility in chemical reactions enables the production of a wide range of compounds with specific functions and properties.

Check Digit Verification of cas no

The CAS Registry Mumber 6268-00-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,2,6 and 8 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6268-00:
(6*6)+(5*2)+(4*6)+(3*8)+(2*0)+(1*0)=94
94 % 10 = 4
So 6268-00-4 is a valid CAS Registry Number.

6268-00-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-oxo-2,4-diphenylbutanenitrile

1.2 Other means of identification

Product number -
Other names 4-oxo-2,4-diphenylbutyronitrile

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:6268-00-4 SDS

6268-00-4Relevant academic research and scientific papers

Design, synthesis and investigation of new diphenyl substituted pyridazinone derivatives as both cholinesterase and Aβ-aggregation inhibitors

Kilic, Burcu,Erdogan, Merve,Gulcan, Hayrettin O.,Aksakal, Fatma,Oruklu, Nihan,Bagriacik, Emin U.,Dogruer, Deniz S.

, p. 59 - 76 (2019/06/11)

Background: With respect to the increase in the average life expectancy, Alzheimer Disease (AD), the most common form of age-related dementia, has become a major threat to the population over the age of 65 during the past several decades. The majority of AD treatments are focused on cholinergic and amyloid hypotheses. Objective: In this study, three series of diphenyl-2-(2-(4-substitutedpiperazin-1-yl)ethyl)pyridazin- 3(2H)-one derivatives were designed, synthesized and investigated for their ability to inhibit both cholinesterase enzymes and amyloid-β aggregation. Method: The inhibitory activities of the synthesized compounds on AChE (from electric eel) and BChE (from equine serum) were determined by the modified Ellman’s method. The reported thioflavin T-based fluorometric assay was performed to investigate the effect of the selected compounds on the aggregation of Aβ1-42. The cytotoxic effect of the compounds (4g, 11g and 18g) was monitored in 3T3 cell lines to gain insight into therapeutic potential of the compounds by using MTT assay. The crystal structures of the AChE (1EVE) and BChE (1P0I) enzymes were retrieved from the RCSB Protein Data Bank and Molecular Operating Environment (MOE) software was used for molecular docking of the ligands. Results: Among the tested compounds, 5,6-diphenyl derivative 18g was identified as the most potent and selective AChE inhibitor (IC50 = 1.75 μM, Selectivity Index for AChE > 22.857). 4,6- Diphenyl derivative 11g showed the highest and the most selectivity for BChE (IC50= 4.97 μM, SI for AChE 0.124). Interestingly, 4,5-diphenyl derivative 4g presented dual cholinesterase inhibition (AChE IC50= 5.11 μM; BChE IC50= 14.16 μM, SI for AChE = 2.771). Conclusion: Based on biological activity results and low toxicity of the compounds, it can be said that diphenyl substituted pyridazinone core is a valuable scaffold. Especially, dual inhibitory potencies of 4,5-diphenylpyridazin-3(2H)-one core for the cholinesterase enzymes and Aβ- aggregation makes this core a promising disease-modifying agent.

Cyano-borrowing reaction: Nickel-catalyzed direct conversion of cyanohydrins and aldehydes/ketones to β-cyano ketone

Li, Zhao-Feng,Li, Qian,Ren, Li-Qing,Li, Qing-Hua,Peng, Yun-Gui,Liu, Tang-Lin

, p. 5787 - 5792 (2019/06/17)

A direct nickel-catalyzed, high atom- and step-economical reaction of cyanohydrins with aldehydes or ketones via an unprecedented "cyano-borrowing reaction" has been developed. Cleavage of the C-CN bond of cyanohydrins followed by aldol condensation and conjugate addition of cyanide to α,β-unsaturated ketones proceeded to deliver a range of racemic β-cyano ketones with good to high yields. The practical procedure with the use of a commercial and less-toxic CN source bodes well for wide application of this protocol.

Tetraarylphosphonium inner-salts (TAPIS) as both Lewis base catalyst and phase tag

Guo, Shuhui,Mi, Xueling

supporting information, p. 2881 - 2884 (2017/07/11)

Tetraarylphosphonium inner-salts (TAPIS) have been designed, synthesized and verified as recyclable and reusable Lewis base catalysts. The resulted TAPIS catalyst has been successfully applied in Michael addition, cyanation and trifluoromethylation reactions.

Conjugate Hydrocyanation of Chalcone Derivatives Using Ethyl Cyanoacetate as an Organic Cyanide Source

Li, Zheng,Yin, Junjun

, p. 1179 - 1184 (2017/07/24)

The conjugate hydrocyanation of chalcone derivatives using ethyl cyanoacetate as an organic cyanide source at room temperature under open air and transition metal-free conditions was described. The protocol has advantages of using relatively cheap, less toxic, stable and easy-to-handle cyanating reagent, high yield, and mild reaction condition.

Functionalised diimidazolium salts: The anion effect on the catalytic ability

Rizzo, Carla,D'Anna, Francesca,Noto, Renato

, p. 58477 - 58484 (2016/07/07)

The catalytic ability of some functionalised diimidazolium ionic liquids was tested using the Michael addition of malononitrile to t-chalcone as probe reaction. Diimidazolium salts characterized by the presence of 1-(1-imidazolylmethyl)-3,5-di-[1-(3-octylimidazolylmethyl)]benzene cation and differing in the anion structure were used. Both mono- and dianions were employed and among these some chiral anions generally used as organocatalysts were taken into account. Data collected were analysed both as function of ionic liquids structure and basicity, evaluated using the Hammett basicity function. Although the use of chiral anions did not allow performing a stereochemical control of the reaction, data collected demonstrate the high catalytic ability of the functionalised salts. Indeed, high conversions and yields were obtained under mild conditions and in significantly shorter reaction times with respect to the ones so far reported for this reaction.

Enantioselective conjugate addition of cyanide to chalcones catalyzed by a magnesium-Py-BINMOL complex

Dong, Cheng,Song, Tao,Bai, Xing-Feng,Cui, Yu-Ming,Xu, Zheng,Xu, Li-Wen

, p. 4755 - 4759 (2015/10/05)

An enantioselective magnesium-catalyzed conjugate addition of trimethylsilyl cyanide to chalcones in the presence of Py-BINMOL with multiple stereogenic centers, through dual activation of substrates, has been successfully developed with moderate to good enantioselectivities and in good yields.

Thiourea-functionalized magnetic hydroxyapatite as a recyclable inorganic-organic hybrid nanocatalyst for conjugate hydrocyanation of chalcones with TMSCN

Oskouie, Afsaneh Arefi,Taheri, Salman,Mamani, Leila,Heydari, Akbar

, p. 6 - 10 (2015/09/21)

The recoverable nanomagnetic catalyst was manufactured based on thiourea modified magnetic hydroxyapatite. Magnetic hydroxyapatite (mHAp) as the inorganic-organic hybrid support was fabricated using co-precipitate condition and then modified via the covalently anchoring of 1-(3,5-bis(trifluoromethyl)phenyl-3-propyl)thiourea. The hybrid nano-catalyst has been identified by TEM, SEM, FTIR, BET, TGA, and XRD. This nanocatalyst appeared efficient and robust in the 1,4-addition reaction of TMSCN to α,β-unsaturated aromatic enones in excellent yields (85-96%) under mild reaction condition and simple work-up process. This recoverable organocatalyst has a great potential as an industrially viable and eco-safe catalyst.

Synthesis of multisubstituted 1H-pyrrole: Selenium-catalyzed reaction of γ-nitro substituted carbonyl compounds and carbon monoxide

Umeda, Rui,Mashino, Tsukasa,Nishiyama, Yutaka

, p. 4395 - 4399 (2014/06/10)

The novel and efficient selenium-catalyzed reductive N-heterocyclization of γ-nitro substituted carbonyl compounds with carbon monoxide has been developed. Various multisubstituted 1H-pyrroles can be easily prepared by this protocol. The one-pot synthesis

Synthesis of β-cyanopropan-1-one derivates by domino reaction

Dong, Hong-Ru,Dong, Wang-Jun,Li, Rong-Shan,Hu, Yi-Ming,Dong, Heng-Shan,Xie, Zhi-Xiang

supporting information, p. 3454 - 3457 (2014/07/08)

Domino nucleophilic addition was used for four-component Al 2O3-catalyzed environmentally friendly synthesis of polysubstituted β-cyanopropan-1-one. Domino nucleophilic addition involves removal of the cyano group linked to active methylene by the action of KF, and direct addition to enones. The reaction's capability for nucleophilic attack is F- > CN- in DMF. The use of low-toxicity reagents hints that the reaction is more environmentally friendly than traditional approaches. This journal is the Partner Organisations 2014.

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