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2,5-Dibenzylidene-cyclopentanone, with the molecular formula C19H16O, is a chemical compound that serves as a versatile reactant in organic synthesis. It is recognized for its distinctive odor and is frequently utilized as a starting material for the creation of complex molecules, particularly in the perfumery and fragrance industry. 2,5-DIBENZYLIDENECYCLOPENTANONE's unique structure and reactivity render it an invaluable asset for organic chemists and researchers, who leverage its properties in the development of innovative chemical processes. Moreover, 2,5-Dibenzylidene-cyclopentanone has shown potential biological activities, such as anti-tumor and anti-inflammatory effects, which have piqued the interest of pharmaceutical researchers.

895-80-7

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895-80-7 Usage

Uses

Used in Perfumery and Fragrance Industry:
2,5-Dibenzylidene-cyclopentanone is used as a key reactant in the synthesis of various perfumes and fragrances due to its distinctive and appealing odor. Its unique scent profile contributes to the creation of a wide range of olfactory compositions.
Used in Organic Synthesis:
As a versatile reactant, 2,5-Dibenzylidene-cyclopentanone is employed in the synthesis of structurally complex molecules, facilitating the development of new compounds with potential applications in various fields.
Used in Pharmaceutical Research:
2,5-Dibenzylidene-cyclopentanone is used as a subject of interest in pharmaceutical research for its demonstrated potential biological activities, such as anti-tumor and anti-inflammatory properties. Its exploration in this field aims to identify and develop new therapeutic agents.
Used in Chemical Process Development:
The unique structure and reactivity of 2,5-Dibenzylidene-cyclopentanone make it a valuable tool for organic chemists and researchers in the development of innovative chemical processes, potentially leading to advancements in various chemical and material science applications.

Check Digit Verification of cas no

The CAS Registry Mumber 895-80-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,9 and 5 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 895-80:
(5*8)+(4*9)+(3*5)+(2*8)+(1*0)=107
107 % 10 = 7
So 895-80-7 is a valid CAS Registry Number.
InChI:InChI=1/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13-,18-14+

895-80-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,5-Dibenzylidenecyclopentanone

1.2 Other means of identification

Product number -
Other names 2,5-DIBENZYLIDENECYCLOPENTANONE

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:895-80-7 SDS

895-80-7Relevant academic research and scientific papers

Green, rapid, and highly efficient syntheses of α,α′-bis[(aryl or allyl)idene]cycloalkanones and 2-[(aryl or allyl)idene]-1-indanones as potentially biologic compounds via solvent-free microwave-assisted Claisen–Schmidt condensation catalyzed by MoCl5

Bakhshi, Reza,Zeynizadeh, Behzad,Mousavi, Hossein

, p. 623 - 637 (2019/08/26)

A new, green, and highly efficient protocol for the expeditious preparation of some α,α′-bis[(aryl or allyl)idene]cycloalkanones and 2-[(aryl or allyl)idene]-1-indanones via a simple microwave-assisted Claisen–Schmidt condensation reaction catalyzed by MoCl5 was successfully developed. Outstanding features of the current methodology include the use of solvent-free conditions, simple operation, use of a very inexpensive and available catalyst, low catalyst loading, short reaction times, high yields of the pure products, no harmful by-products, easy workup, and also the applicability of microwave irradiation as a clean source of energy. Furthermore, a gram-scale reaction was successfully conducted, proving the scalability of this current Claisen–Schmidt condensation reaction.

Ash of pomegranate peels (APP): A bio-waste heterogeneous catalyst for sustainable synthesis of α,α′-bis(substituted benzylidine)cycloalkanones and 2-arylidene-1-tetralones

Patil, Rupesh C.,Patil, Uttam P.,Jagdale, Ashutosh A.,Shinde, Sachinkumar K.,Patil, Suresh S.

, p. 3527 - 3543 (2020/05/13)

Abstract: α,α′-bis(substituted benzylidene)cycloalkanones were efficiently prepared from variously substituted aldehydes and cycloalkanones in water by using ash of pomegranate peels (APP) as a catalyst. The APP-catalyst was obtained from bio-waste by simple thermal treatment to dry peels of pomegranate fruit and formation of its active phase was confirmed by FT-IR, XRD, XRF, EDX, SEM, DSC-TGA and BET techniques. The analysis revealed that the present catalyst has basic sites which promote the synthesis of desired products. The main attractions of our protocol are utilization of highly abundant bio-waste-derived catalyst and good-to-excellent yield in shortest reaction time. This green protocol was further extended for structurally diverse 2-arylidene-1-tetralones by condensation of equimolar quantity of aromatic aldehydes and 1-tetralone at low temperature. The catalyst could be quantitatively recovered and reused effectively for five times. Graphic abstract: [Figure not available: see fulltext.].

Diarylidenecyclopentanone derivatives as potent anti-inflammatory and anticancer agents

Tamang, Nitesh,Ramamoorthy, Gayathri,Joshi, Mayank,Choudury, Angshuman Roy,B, Siva Kumar,Golakoti, Nageswara Rao,Doble, Mukesh

, p. 1579 - 1589 (2020/07/02)

Cancer is often associated with chronic inflammation. In order to develop potential anticancer and anti-inflammatory agents a series of 26 diarylidenecyclopentanones (DACPs) Ia–Iv, II, III, and IV were synthesized. Five of the synthesized DACPs are novel (Ih, Ij, Ik, Is, and Iv), derivative Iv was characterized using single-crystal X-ray diffraction study. All the synthesized derivatives were tested for their anti-inflammatory as well as cytotoxicity properties. Compound Is is found to have the highest anti-inflammatory activity (93.67%) by inhibiting PGE2 (prostaglandin E2) production. Three of the DACPs (Io, It, and Iu) were observed to have high cytotoxicity with IC50 value of 8.73 ± 0.06 μM (Io), 12.55 ± 0.31 μM (It), and 11.47 ± 0.15 μM (Iu) against HeLa cells. Further staining and cell cycle analysis was done using these three DACPs to understand their mechanism of action. The G0/G1 phase was observed to be the longest one through which the cells undergo apoptosis.

Base-catalyzed cross coupling of secondary alcohols and aryl-aldehydes with concomitant oxidation of alcohols to ketones: An alternative route for synthesis of the Claisen-Schmidt condensation products

Satrawala, Naveen,Sharma, Kamal N.,Matsinha, Leah C.,Maqeda, Latisa,Siangwata, Shepherd,Smith, Gregory S.,Joshi, Raj K.

supporting information, p. 2761 - 2764 (2017/06/23)

Base-catalyzed C–C cross coupling of secondary alcohols and aryl-aldehydes was achieved, when an alcoholic solution of an aryl-aldehyde was stirred under reflux for 45?h in the presence of a catalytic (20?mol%) amount of K2CO3. The consistent formation of α,α′-bis-(benzylidene) alkanones was obtained in moderate to good yields using various secondary alcohols and substituted aryl-aldehydes. Herein, α,α′-bis-(benzylidene)alkanones, which are the classical products of Claisen-Schmidt (cross aldol) condensation, have been synthesized via an alternative strategy using secondary alcohols. Bis-(benzylidene) alkanones are an integral part of various drug regimes and the production of bis-(benzylidene) alkanones without using any precious metal is a major outcome of the present reaction.

Sulfonated PEG-intercalated montmorillonite [(Mt/PEG)-SO3H] as efficient and ecofriendly nanocatalyst for synthesis of α,α′-bis(substituted benzylidene)cycloalkanones

Dalil Heirati, Seyedeh Zahra,Shirini, Farhad,Fallah Shojaei, Abdollah

, p. 6167 - 6186 (2017/10/05)

(Montmorillonite/PEG)-SO3H nanocomposite was successfully prepared for the first time and introduced as a solid acid nanocatalyst. Initially, polyethylene glycol (PEG) polymeric chains were intercalated into interlayer spaces of montmorillonite. The resulting Mt/PEG nanocomposite with good mechanical and thermal stability was chosen as a useful clay mineral/polymer support for further modification with chlorosulfonic acid. Structural characterization of (Mt/PEG)-SO3H was carried out using X-ray diffraction (XRD) analysis, Brunauer–Emmett–Teller (BET) measurements, Barrett–Joyner–Halenda (BJH) analysis, scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and Fourier-transform infrared (FT-IR) spectroscopy. The results showed that PEG chains were intercalated into the clay mineral layers and that the Mt/PEG nanocomposite was successfully sulfonated. (Mt/PEG)-SO3H nanocomposite exhibited high specific surface area and good stability up to around 150?°C, showing excellent potential for application as a recyclable nanocatalyst. (Mt/PEG)-SO3H was used as an efficient and ecofriendly solid acid nanocatalyst for preparation of α,α′-bis(substituted benzylidene)cycloalkanones under solvent-free conditions, leading to many interesting findings. The excellent conversion values confirm that the catalyst has strong and sufficient acidic sites, which are responsible for its catalytic performance. The reaction under mild conditions (room temperature) with excellent yield, catalyst recyclability (up to ten times), and simple work-up procedure represent useful advantages of (Mt/PEG)-SO3H for catalysis. Moreover, the reaction could be scaled up to 10 and 15?mmol scales.

An efficient green approach to aldol and cross-aldol condensations of ketones with aromatic aldehydes catalyzed by nanometasilica disulfuric acid in water

Nakhaei,Morsali,Davoodnia

, p. 1073 - 1078 (2017/06/29)

Aldol and cross-aldol condensations of aromatic aldehydes with various ketones in the presence of nanometasilica disulfuric acid (NMSDSA) as heterogeneous catalyst are presented. The catalyst was prepared according to the developed earlier method using inexpensive and readily available starting materials. The highly active catalyst gave excellent yields of the desired aldol products without self-condensation reaction taking place. Reaction times were short, the procedure and work-up were simple, and no volatile or hazardous organic solvents were involved. The catalyst could be recovered three times with only slight reduction in activity.

Phase-vanishing method applied to condensation reactions using TiCl4

Adachi, Yusuke,Kuniyoshi, Kenji,Matsubara, Hiroshi

, p. 100 - 105 (2017/04/10)

The phase-vanishing (PV) method using perfluorohexanes as the phase screen was applied to the aldol condensation using TiCl4 as the Lewis acid. A special test tube was used, in which an interface between the fluorous and organic layers was stirred, and cyclohexanone was treated with two equivalents of benzaldehyde derivatives under PV conditions to afford corresponding 2,6-dibenzylidencyclohexanone in good yields. The formyl-methylenation of ketones with triethylamine using TiCl4 was also demonstrated by the PV method.

Design, characterization, and use of N,N-diethyl-N-sulfoethanaminium hydrogen sulfate {[Et3N-SO3H]HSO4} as a novel and highly efficient catalyst for preparation of α,α′-bis(arylidene)cycloalkanones

Ahmadi, Salimeh,Zare, Abdolkarim,Aali-Hosaini, Mina,Maghsoudi, Maryam,Izadpanah, Shadi,Parhami, Abolfath,Merajoddin, Maria

, p. 6245 - 6253 (2016/07/06)

Abstract: The aim of this work is to introduce a novel and attractive protic acidic ionic liquid as catalyst for organic synthesis. To achieve this aim, N,N-diethyl-N-sulfoethanaminium hydrogen sulfate {[Et3N-SO3H]HSO4} was prepared by reaction of NEt3 with ClSO3H and then with H2SO4. The novel acidic ionic liquid was identified by Fourier-transform infrared (FT-IR), 1H nuclear magnetic resonance (NMR), 13C NMR, and mass spectroscopies. Its catalytic activity was then examined in the cross-aldol condensation reaction of arylaldehydes with cycloalkanones under solvent-free conditions, obtaining α,α′-bis(arylidene)cycloalkanones in high yield after short reaction time. Graphical Abstract: [Figure not available: see fulltext.]

Synthesis, characterization, and crystal structures of α, α'-bis(substituted-benzylidene)cycloalkanone derivatives by nano-TiO2/HOAc

Tabrizian, Elham,Amoozadeh, Ali,Rahmani, Salman,Salehi, Mehdi,Kubicki, Maciej

, p. 531 - 544 (2016/04/26)

A new and economical synthesis of α, α'-bis(substituted-benzylidene)cycloalkanones has been achieved by the reaction of cycloalkanones with different aromatic aldehydes using nano-TiO2/acetic acid as a catalyst in ethanol under reflux conditions with excellent yields. Five new products and three new single crystal structures are reported.

Chemoselective Claisen-Schmidt bis-substitutional condensation catalyzed by an alkoxy-bridged dinuclear Ti(IV) cluster

Wu, Yufei,Hou, Jie,Liu, Yuliang,Zhang, Mingfu,Tung, Chen-Ho,Wang, Yifeng

, p. 1511 - 1516 (2016/03/01)

The highly efficient and chemoselective α,α′-bis-substitution of alkanones is important in organic synthesis. Herein, a dimeric titanium cluster, Ti2Cl2(OPri)6·2HOPri (Ti2), is used in the Claisen-Schmidt condensation reaction, for the selectively activation of symmetrical ketones containing α,α′-methylene groups and production of α,α′-bis-substituted alkanones in high efficiency and chemoselectivity. The high efficiency and chemoselectivity can be extended to a variety of typical alkanones and aromatic aldehydes. Both of the oxo-bridged dimeric motif of Ti2 and the ionic Ti-Cl bond are responsible for the high efficiency and chemoselectivity.

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