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Benzonitrile, 4-(diphenylphosphino)-, also known as 4-(diphenylphosphino)benzonitrile or 4-DPPBN, is an organophosphorus compound with the chemical formula C18H14NP. It is a colorless to pale yellow crystalline solid that is soluble in organic solvents. Benzonitrile, 4-(diphenylphosphino)- is widely used as a ligand in homogeneous catalysis, particularly in transition metal-catalyzed reactions such as hydrogenation, hydroformylation, and cross-coupling reactions. Its unique structure, featuring a phosphorus atom bonded to a benzonitrile group, provides a strong electron-donating effect, which enhances the catalytic activity and selectivity of the metal complexes. Due to its stability and versatility, 4-DPPBN has become a popular choice in various chemical transformations, making it an important reagent in the field of organometallic chemistry and catalysis.

5068-16-6

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5068-16-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5068-16-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,6 and 8 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5068-16:
(6*5)+(5*0)+(4*6)+(3*8)+(2*1)+(1*6)=86
86 % 10 = 6
So 5068-16-6 is a valid CAS Registry Number.

5068-16-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-diphenylphosphanylbenzonitrile

1.2 Other means of identification

Product number -
Other names p-Cyanaphenyldiphenylphosphin

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:5068-16-6 SDS

5068-16-6Relevant academic research and scientific papers

Phosphination of Phenol Derivatives and Applications to Divergent Synthesis of Phosphine Ligands

Li, Chenchen,Zhang, Kezhuo,Zhang, Minghao,Zhang, Wu,Zhao, Wanxiang

supporting information, p. 8766 - 8771 (2021/11/20)

We describe a general and efficient protocol for the synthesis of organophosphine compounds from phenols and phosphines (R2PH) via a metal-free C-O bond cleavage and C-P bond formation process. This approach exhibits broad substrate scope and excellent functional group tolerance. The synthetic utilities of this protocol were demonstrated by the synthesis of chiral ligands via the various transformations of cyano groups and their applications in asymmetric catalysis.

Palladium-Catalyzed C-P(III) Bond Formation by Coupling ArBr/ArOTf with Acylphosphines

Chen, Xingyu,Wu, Hongyu,Yu, Rongrong,Zhu, Hong,Wang, Zhiqian

, p. 8987 - 8996 (2021/06/30)

Palladium-catalyzed C-P bond formation reaction of ArBr/ArOTf using acylphosphines as differential phosphination reagents is reported. The acylphosphines show practicable reactivity with ArBr and ArOTf as the phosphination reagents, though they are inert to the air and moisture. The reaction affords trivalent phosphines directly in good yields with a broad substrate scope and functional group tolerance. This reaction discloses the acylphosphines' capability as new phosphorus sources for the direct synthesis of trivalent phosphines.

Ready Approach to Organophosphines from ArCl via Selective Cleavage of C-P Bonds by Sodium

Ye, Jingjing,Zhang, Jian-Qiu,Saga, Yuta,Onozawa, Shunya,Kobayashi, Shu,Sato, Kazuhiko,Fukaya, Norihisa,Han, Li-Biao

, p. 2682 - 2694 (2020/07/30)

The preparation, application, and reaction mechanism of sodium phosphide R2PNa and other alkali metal phosphides R2PM (M = Li and K) have been studied. R2PNa could be prepared, accurately and selectively, via the reactions of SD (sodium finely dispersed in mineral oil) with phosphinites R2POR′ and chlorophosphines R2PCl. R2PNa could also be prepared from triarylphosphines and diarylphosphines via the selective cleavage of C-P bonds. Na was superior to Li and K for these reactions. R2PNa reacted with a variety of ArCl to efficiently produce R2PAr. ArCl is superior to ArBr and ArI since they only gave low yields of the products. In addition, Ph2PNa is superior to Ph2PLi and Ph2PK since Ph2PLi did not produce the coupling product with PhCl, while Ph2PK only gave a low yield of the product. An electron-withdrawing group on the benzene ring of ArCl greatly accelerated the reactions with R2PNa, while an alkyl group reduced the reactivity. Vinyl chloride and alkyl chlorides RCl also reacted efficiently. While t-BuCl did not produce the corresponding product, admantyl halides could give the corresponding phosphine in high yields. A wide range of phosphines were prepared by this method from the corresponding chlorides. Unsymmetric phosphines could also be conveniently generated in one pot starting from Ph3P. Chiral phosphines were also obtained in good yields from the reactions of menthyl chlorides with R2PNa. Possible mechanistic pathways were given for the reductive cleavage of R3P by sodium generating R2PNa and the substitution reactions of R2PNa with ArCl generating R2PAr.

Copper-catalyzed C–P cross-coupling of secondary phosphines with (hetero)aromatic bromide

Li, Chun-Jing,Lü, Jing,Zhang, Zhi-Xun,Zhou, Kun,Li, Yan,Qi, Guang-Hui

, p. 4547 - 4562 (2018/04/20)

A novel and convenient approach to the synthesis of various tertiary phosphines via a copper-catalyzed cross-coupling of (hetero)aromatic bromide with secondary phosphines has been developed. The reaction employs cheap copper as the catalyst, 2,6-bis(N-methylaminomethyl)pyridine (L4) as a perfect ligand and KOtBu as a base; all reactions are carried out under argon atmosphere. A variety of sterically hindered and/or functionalized substrates were found to react under these reaction conditions to provide products in good to excellent yields. Moreover, ten new tertiary phosphines were first reported in this process.

An efficient heterogeneous cross-coupling of aryl iodides with diphenylphosphine catalyzed by copper (I) immobilized in MCM-41

Fang, Zhiqiang,Cai, Mingzhong,Lin, Yang,Zhao, Hong

, (2018/07/31)

The heterogeneous cross-coupling reaction of aryl iodides with diphenylphosphine was achieved in toluene at 115?°C in the presence of 10?mol% of phenanthroline-functionalized MCM-41-supported copper (I) complex (Phen-MCM-41-CuI) with Cs2CO3 as base, yielding various unsymmetric triarylphosphines in good to excellent yields. This protocol can tolerate a wide range of functional groups and does not need the use of expensive additives or harsh reaction conditions. This heterogeneous Cu (I) catalyst exhibited the same catalytic activity as homogeneous CuI/Phen system, and could easily be recovered by a simple filtration of the reaction solution and recycled up to seven times without significant loss of activity.

A practical synthesis of unsymmetrical triarylphosphines by heterogeneous palladium(0)-catalyzed cross-coupling of aryl iodides with diphenylphosphine

Xu, Zhaotao,Wang, Pingping,Chen, Qiurong,Cai, Mingzhong

, p. 50 - 58 (2018/04/23)

The heterogeneous cross-coupling reaction of aryl iodides with diphenylphosphine was achieved in DMAc at 130 °C in the presence of 1.0 mol% of MCM-41-supported tridentate nitrogen palladium(0) complex [MCM-41-3N-Pd(0)] with KOAc as base, yielding a variety of unsymmetrical triarylphosphines in good to excellent yields. The turnover frequency (TOF) of the catalyst can reach 30.67 h?1. This new heterogeneous palladium(0) catalyst could easily be prepared by a simple procedure from commercially readily available reagents, and exhibited the same catalytic activity as homogeneous Pd(OAc)2 or Pd(PPh3)4, and could be recovered by filtration of the reaction solution and recycled at least seven times without significant loss of catalytic activity.

Palladium-catalyzed C–P(III) bond formation reaction with acylphosphines as phosphorus source

Yu, Rongrong,Chen, Xingyu,Wang, Zhiqian

, p. 3404 - 3406 (2016/07/11)

Palladium-catalyzed C–P(III) bond formation reaction employing acylphosphines as the phosphorus source was developed. Under the optimized conditions, acylphosphines could react with aryl halides directly affording trivalent phosphines in up to 94% yield.

Covalently and non-covalently immobilized clusters onto nanocarbons as catalysts precursors for cinnamaldehyde selective hydrogenation

Vriamont, Charles,Haynes, Tommy,McCague-Murphy, Emily,Pennetreau, Florence,Riant, Olivier,Hermans, Sophie

, p. 389 - 400 (2015/06/30)

Abstract Ru-based nanoparticles were deposited on carbon nanotubes and graphene via an organometallic approach involving mixed-metal clusters modified with appropriate ligands. These ligands allowed either covalent or non-covalent π-π interactions with the carbonaceous surfaces. The immobilized clusters were then coalesced at different temperatures to give carbon-supported nanoparticles of different sizes. The obtained catalysts were tested in the selective hydrogenation of cinnamaldehyde. It was found that the nature of the metal(s), support nature, incorporation method and activation temperature all had a profound influence on activity and selectivity. Interestingly, the selectivity could be shifted from cinnamyl alcohol (COL) to hydrocinnamaldehyde (HCAL) by changing the reaction solvent. The best catalysts gave a very high selectivity in cinnamyl alcohol, which is not the more thermodynamically favored product, and could be reused several times without loss of activity or selectivity.

Catalysis with gold complexes immobilised on carbon nanotubes by π-π Stacking interactions: Heterogeneous catalysis versus the boomerang effect

Vriamont, Charles,Devillers, Michel,Riant, Olivier,Hermans, Sophie

, p. 12009 - 12017 (2013/09/23)

A new pyrene-tagged gold(I) complex has been synthesised and tested as a homogeneous catalyst. First, a simple 1,6-enyne was chosen as a model substrate for cyclisation by using different solvents to optimise the reaction conditions. The non-covalent immobilisation of our pyrene-tagged gold complex onto multi-walled carbon nanotubes through π-π stacking interactions was then explored to obtain a supported homogeneous catalyst. The heterogenised catalyst and its homogeneous counterpart exhibited similar activity in a range of enyne cyclisation reactions. Bearing in mind that π-π interactions are affected by temperature and solvent polarity, the reuse and robustness of the supported homogeneous catalyst was tested to explore the scope and limitations of the recyclability of this catalyst. Under the optimised conditions, recyclability was observed by using the concept of the boomerang effect. Copyright

Catalysts for Suzuki polycondensation: Ionic and "quasi-ionic" amphipathic palladium complexes with self-phase-transfer features

Li, Jing,Fu, Hongwei,Hu, Pan,Zhang, Zilong,Li, Xiao,Cheng, Yanxiang

supporting information, p. 13941 - 13944,4 (2020/09/16)

Poly(9,9-dioctylfluorene) (PFO) with Mn values above 100 000 g mol-1 in a toluene/water system and Mn values up to 600 000 g mol-1 in a THF/water system has been obtained by improved Suzuki polycondensation using a new kind of amphipathic palladium catalyst with self-phase-transfer features, which could overcome the disadvantage caused by the immiscible biphasic mixture and accelerate the transmetalation step (see figure). Copyright

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