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4'-CHLORO-3-PHENYLPROPIOPHENONE, a phenylpropanoid organic compound, is a derivative of propiophenone with a chloro-substituent at the 4' position and a phenyl group at the 3-position. It serves as a crucial chemical building block in the field of organic chemistry, known for its versatile applications.

5739-37-7

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5739-37-7 Usage

Uses

Used in Pharmaceutical Industry:
4'-CHLORO-3-PHENYLPROPIOPHENONE is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic benefits.
Used in Agrochemical Industry:
In the agrochemical sector, 4'-CHLORO-3-PHENYLPROPIOPHENONE is utilized as a precursor in the production of agrochemicals, contributing to the development of effective crop protection agents and other agricultural products.
Used in Fragrance and Flavor Industry:
4'-CHLORO-3-PHENYLPROPIOPHENONE is employed as an intermediate in the synthesis of fragrance and flavor ingredients. Its chemical properties enable the creation of novel scents and tastes for various consumer products.
Used in Organic Chemistry Research:
As a versatile chemical building block, 4'-CHLORO-3-PHENYLPROPIOPHENONE is used in organic chemistry research to explore new reactions, mechanisms, and the development of innovative synthetic methods. Its unique structure provides opportunities for the discovery of new compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 5739-37-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,3 and 9 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5739-37:
(6*5)+(5*7)+(4*3)+(3*9)+(2*3)+(1*7)=117
117 % 10 = 7
So 5739-37-7 is a valid CAS Registry Number.
InChI:InChI=1/C15H13ClO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2

5739-37-7SDS

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 1-(4-chlorophenyl)-3-phenylpropan-1-one

1.2 Other means of identification

Product number -
Other names 1-(4-Chlor-phenyl)-3-phenyl-propan-1-on

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:5739-37-7 SDS

5739-37-7Relevant academic research and scientific papers

Structure and Mechanism in the Photoreduction of Aryl Chlorides in Alkane Solvents

Bunce, Nigel J.,Bergsma, John P.,Bergsma, Michael D.,Graaf, Wilma de,Kumar, Yogesh,Ravanal, Luis

, p. 3708 - 3713 (1980)

The photochemical dechlorinations of chlorides of the benzene, naphthalene, and biphenyl series are compared.It is concluded that triplet-state homolysis of the Ar-Cl bond is the preferred reaction pathway provided that the chloro compound has a triplet energy close to the necessary bond-dissociation energy.For 1-chloronaphthalene this is not the case, and an inefficient degradation takes place from the singlet state.

Selective C-C bonds formation, N-alkylation and benzo[d]imidazoles synthesis by a recyclable zinc composite

Zhu, Guanxin,Duan, Zheng-Chao,Zhu, Haiyan,Ye, Dongdong,Wang, Dawei

supporting information, p. 266 - 270 (2021/08/06)

Earth abundant metals are much less expensive, promising, valuable metals and could be served as catalysts for the borrowing hydrogen reaction, dehydrogenation and heterocycles synthesis, instead of noble metals. The uniformly dispersed zinc composites were designed, synthesized and carefully characterized by means of XPS, EDS, TEM and XRD. The resulting zinc composite showed good catalytic activity for the N-alkylation of amines with amines, ketones with alcohols in water under base-free conditions, while unsaturated carbonyl compounds could also be synthesized by tuning the reaction conditions. Importantly, it was the first time to realize the synthesis of 2-aryl-1H-benzo[d]imidazole derivatives by using this zinc composite under green conditions. Meanwhile, this zinc catalyst could be easily recovered and reused for at least five times.

Borane-Catalyzed, Chemoselective Reduction and Hydrofunctionalization of Enones Enabled by B-O Transborylation

Nicholson, Kieran,Langer, Thomas,Thomas, Stephen P.

supporting information, p. 2498 - 2504 (2021/04/13)

The use of stoichiometric organoborane reductants in organic synthesis is well established. Here these reagents have been rendered catalytic through an isodesmic B-O/B-H transborylation applied in the borane-catalyzed, chemoselective alkene reduction and formal hydrofunctionalization of enones. The reaction was found to proceed by a 1,4-hydroboration of the enone and B-O/B-H transborylation with HBpin, enabling catalyst turnover. Single-turnover and isotopic labeling experiments supported the proposed mechanism of catalysis with 1,4-hydroboration and B-O/B-H transborylation as key steps.

The: In situ fabrication of ZIF-67 on titania-coated magnetic nanoparticles: A new platform for the immobilization of Pd(ii) with enhanced catalytic activity for organic transformations

Kaur, Manpreet,Paul, Satya,Sharma, Chandan,Sharma, Sukanya

, p. 20309 - 20322 (2021/11/22)

Considering the outstanding characteristics of metal organic frameworks (MOFs) and magnetic nanoparticles, herein we report a facile approach for the synthesis of a magnetic zeolitic-imidazolate-framework-supported palladium(ii) catalyst. In brief, zeolitic imidazolate framework-67 (ZIF-67) was successfully incorporated onto the surface of titania-coated magnetic nanoparticles using ethane-1,2-diamine as a linker, and then Pd(ii) was immobilized onto this. The resulting Pd@ZIF-67-Fe3O4-TiO2 catalyst possesses a high surface area (205 m2 g-1), a large pore volume (0.10 cm3 g-1), good magnetic responsivity (10.71 emu g-1), and high stability. A comparative analysis of Pd@ZIF-67-Fe3O4-TiO2 and Pd@Fe3O4-TiO2 catalysts for the oxidation, reduction, and oxidative deprotection of oximes was done to investigate the effects of ZIF-67 on the catalytic performance of Pd species. Substantial differences in activity and stability were observed in the presence of ZIF-67, suggesting that ZIF-67 plays an important role in enhancing the activity of Pd(ii). This superior catalytic activity and stability arises due to a synergistic effect between well-dispersed palladium species and highly porous ZIF-67, which was confirmed via XPS analysis. Moreover, the catalyst retains its structure, chemical environment, and good magnetic response even after five catalytic runs, as confirmed via FTIR, XRD, XPS, and VSM studies of reused catalyst samples.

Selective catalytic synthesis of α-alkylated ketones and β-disubstituted ketones via acceptorless dehydrogenative cross-coupling of alcohols

Bhattacharyya, Dipanjan,Sarmah, Bikash Kumar,Nandi, Sekhar,Srivastava, Hemant Kumar,Das, Animesh

supporting information, p. 869 - 875 (2021/02/06)

Herein, a phosphine-free pincer ruthenium(III) catalyzed β-alkylation of secondary alcohols with primary alcohols to α-alkylated ketones and two different secondary alcohols to β-branched ketones are reported. Notably, this transformation is environmentally benign and atom efficient with H2O and H2 gas as the only byproducts. The protocol is extended to gram-scale reaction and for functionalization of complex vitamin E and cholesterol derivatives.

Designed pincer ligand supported Co(ii)-based catalysts for dehydrogenative activation of alcohols: Studies onN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines

Singh, Anshu,Maji, Ankur,Joshi, Mayank,Choudhury, Angshuman R.,Ghosh, Kaushik

, p. 8567 - 8587 (2021/06/30)

Base-metal catalystsCo1,Co2andCo3were synthesized from designed pincer ligandsL1,L2andL3having NNN donor atoms respectively.Co1,Co2andCo3were characterized by IR, UV-Vis. and ESI-MS spectroscopic studies. Single crystal X-ray diffraction studies were investigated to authenticate the molecular structures ofCo1andCo3. CatalystsCo1,Co2andCo3were utilized to study the dehydrogenative activation of alcohols forN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines. Under optimized reaction conditions, a broad range of substrates including alcohols, anilines and ketones were exploited. A series of control experiments forN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines were examined to understand the reaction pathway. ESI-MS spectral studies were investigated to characterize cobalt-alkoxide and cobalt-hydride intermediates. Reduction of styrene by evolved hydrogen gas during the reaction was investigated to authenticate the dehydrogenative nature of the catalysts. Probable reaction pathways were proposed forN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines on the basis of control experiments and detection of reaction intermediates.

BTP-Rh@g-C3N4 as an efficient recyclable catalyst for dehydrogenation and borrowing hydrogen reactions

Hu, Wenkang,Liu, Hongqiang,Luo, Lan,Wang, Dawei,Zeng, Wei

, (2021/11/16)

Highly active catalysts play an important role in modern catalysis. A novel and efficient ligand benzotriazole-pyrimidine (BTP) and the corresponding rhodium composite on C3N4 were successfully synthesized. The resulting rhodium composite was fully characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), x-ray diffraction (XRD), thermogravimetric analysis (TGA), and x-ray photoelectron spectroscopy (XPS). The obtained composite exhibited good catalytic activity and good recovery performance in the synthesis of quinoxaline from 2-aminobenzyl alcohol and benzonitrile, and more than 20 quinoxalines were obtained in good yields. Additionally, it also showed that rhodium composite could achieved good catalytic performance in the synthesis of functionalized ketone through borrowing hydrogen strategy.

Synthesis of α-Alkylated Ketones via Selective Epoxide Opening/Alkylation Reactions with Primary Alcohols

Gen?, Serta?,Gülcemal, Süleyman,Günnaz, Salih,?etinkaya, Bekir,Gülcemal, Derya

supporting information, p. 5229 - 5234 (2021/07/19)

A new method for converting terminal epoxides and primary alcohols into α-alkylated ketones under borrowing hydrogen conditions is reported. The procedure involves a one-pot epoxide ring opening and alkylation via primary alcohols in the presence of an N-heterocyclic carbene iridium(I) catalyst, under aerobic conditions, with water as the side product.

Electrochemical-Induced Hydrogenation of Electron-Deficient Internal Olefins and Alkynes with CH3OH as Hydrogen Donor

Qin, Hongyun,Yang, Jianjing,Yan, Kelu,Xue, Yaxuan,Zhang, Meichen,Sun, Xuejun,Wen, Jiangwei,Wang, Hua

supporting information, p. 2104 - 2109 (2021/03/15)

Efficient hydrogenation of electron-deficient internal olefins and alkynes access to saturate ketone with CH3OH as a single hydrogen donor under electrochemical conditions has been successfully developed. This hydrogenation strategy can be used to convert electron-deficient internal olefins and alkynes to saturate ketone under electrochemical conditions with exogenous-reductant and a metal catalyst. Mechanistic studies reveal that radical hydrogenation was involved in this transformation. Notably, various electron-deficient internal olefins and alkynes could be tolerated in such an electrochemical hydrogenation synthetic strategy and can be easily scaled up with good efficiency. (Figure presented.).

Selective Construction of C?C and C=C Bonds by Manganese Catalyzed Coupling of Alcohols with Phosphorus Ylides

Liu, Xin,Werner, Thomas

, p. 1096 - 1104 (2020/12/31)

Herein, we report the manganese catalyzed coupling of alcohols with phosphorus ylides. The selectivity in the coupling of primary alcohols with phosphorus ylides to form carbon-carbon single (C?C) and carbon-carbon double (C=C) bonds can be controlled by the ligands. In the conversion of more challenging secondary alcohols with phosphorus ylides the selectivity towards the formation of C?C vs. C=C bonds can be controlled by the reaction conditions, namely the amount of base. The scope and limitations of the coupling reactions were thoroughly evaluated by the conversion of 21 alcohols and 15 ylides. Notably, compared to existing methods, which are based on precious metal complexes as catalysts, the present catalytic system is based on earth abundant manganese catalysts. The reaction can also be performed in a sequential one-pot reaction generating the phosphorus ylide in situ followed manganese catalyzed C?C and C=C bond formation. Mechanistic studies suggest that the C?C bond was generated via a borrowing hydrogen pathway and the C=C bond formation followed an acceptorless dehydrogenative coupling pathway. (Figure presented.).

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