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4-CHLORO-4'-METHOXYBIPHENYL, also known as PCB 13, is an organic compound belonging to the group of polychlorinated biphenyls (PCBs). It features a biphenyl structure with a chlorine atom at the 4th position and a methoxy group at the 4' position. Although it is one of the less common PCB congeners, PCB 13 is recognized as a potential environmental contaminant due to its presence in air, water, and soil. Its toxicological properties, including potential endocrine disruptor effects, have raised environmental and health concerns.

58970-19-7

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58970-19-7 Usage

Uses

Used in Environmental Monitoring:
4-CHLORO-4'-METHOXYBIPHENYL is used as a marker for environmental contamination, particularly in the detection and assessment of PCB pollution in various ecosystems. Its presence in air, water, and soil samples helps to identify areas that may require remediation efforts to mitigate the risks associated with PCB exposure.
Used in Toxicological Research:
In the field of toxicology, 4-CHLORO-4'-METHOXYBIPHENYL serves as a subject for studying the effects of PCBs on various organisms. Research on PCB 13 contributes to the understanding of the potential endocrine disruptor properties and other toxic effects of PCBs, which is crucial for developing strategies to minimize their impact on human health and the environment.
Used in Regulatory Compliance:
4-CHLORO-4'-METHOXYBIPHENYL is utilized in regulatory frameworks to monitor and control the levels of PCBs in industrial processes and commercial products. Its identification and quantification in environmental samples and products help ensure compliance with regulations aimed at reducing the release of hazardous substances into the environment.
Used in Environmental Remediation:
In the context of environmental remediation, 4-CHLORO-4'-METHOXYBIPHENYL is targeted for removal or degradation in contaminated sites. Techniques such as bioremediation, chemical degradation, or physical separation are employed to mitigate the presence of PCB 13 and other PCB congeners, thereby reducing their potential harm to ecosystems and human health.

Check Digit Verification of cas no

The CAS Registry Mumber 58970-19-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,9,7 and 0 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 58970-19:
(7*5)+(6*8)+(5*9)+(4*7)+(3*0)+(2*1)+(1*9)=167
167 % 10 = 7
So 58970-19-7 is a valid CAS Registry Number.

58970-19-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chloro-4'-methoxy-1,1'-biphenyl

1.2 Other means of identification

Product number -
Other names 1-chloro-4-(4-methoxyphenyl)benzene

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:58970-19-7 SDS

58970-19-7Relevant academic research and scientific papers

Nickel(II)/N-Heterocyclic Carbene Catalyzed Desulfinylative Arylation by C?S Cleavage of Aryl Sulfoxides with Phenylboronic Acids

Yi, Xiaowen,Chen, Kai,Guo, Junjun,Chen, Wei,Chen, Wanzhi

supporting information, p. 4373 - 4377 (2020/07/27)

Suzuki-Miyaura coupling of haloarenes is the most widely used protocol for the synthesis of biphenyls. Organosulfur compounds are promising electrophiles since they are abundant in nature and versatile in organic synthesis. We report here the desulfinylative Suzuki-Miyaura coupling of aryl sulfoxides with phenylboronic acids using bench-stable nickel/5-(2,4,6-triisopropylphenyl)imidazolylidene[1,5-a]pyridines as the catalyst. The ligands are readily prepared from common commercial chemicals. The method is applicable to both symmetric and unsymmetric aryl sulfoxides, and a range of biphenyls bearing various functional groups were obtained in up to 94% yield. (Figure presented.).

Exploring the coordination confinement effect of divalent palladium/zero palladium doped polyaniline-networking: As an excellent-performance nanocomposite catalyst for C-C coupling reactions

Liang, Yanping,Liu, Wanyi,Song, Manrong,Sun, Yanyan,Wang, Gang,Wu, Zhiqiang,Zhan, Haijuan

, p. 177 - 188 (2020/03/17)

A pre-formed catalyst Pd2+/PANI composite for C-C coupling reaction was synthesized by combining the self-stabilized dispersion polymerization method with the in-situ composite material. Experiments have confirmed that the relatively high reduced structure (75%) in the polyaniline carrier is more favorable for the coupling reaction. Raman spectroscopy, solid nuclear magnetic, and X-ray photoelectron spectroscopy were performed to characterize the structures. The pre-formed catalyst has uniform coordination of divalent palladium and nitrogen in different valence states of the carrier polyaniline, which shows a good synergistic effect in the catalytic Ullmann reaction, and greatly reduces the use of reducing agents such as hydrazine hydrate. Compared with other studies, we analyzed the catalytic reaction mechanism in detail through real-time online infrared and XPS characterization. The results show that the divalent palladium in the catalyst and the zero-valent palladium generated by the in-situ reaction synergistically promote the reaction, while the polyaniline support acts as a stabilizer and dispersant, which prevents the agglomeration of the metal particles and prolongs increased catalyst life. The prepared Pd2+/PANI composites will become the most attractive alternative to traditional organic materials due to their wide applicability, high catalytic activity, stable recycling and relatively low price. This work provides a new theoretical basis for the understanding of the essential driving force of PANI catalytic activity and the cognition of the micro mechanism of action.

Synthesis of Biaryls via Decarbonylative Nickel-Catalyzed Suzuki-Miyaura Cross-Coupling of Aryl Anhydrides

Zhou, Jing-Ya,Liu, Rui-Qing,Wang, Cheng-Yi,Zhu, Yong-Ming

, p. 14149 - 14157 (2020/11/13)

Transition metal-catalyzed cross-couplings have been widely employed in the synthesis of many important molecules in synthetic chemistry for the construction of diverse C-C bonds. Conventional cross-coupling reactions require active electrophilic coupling partners, such as organohalides or sulfonates, which are not environmentally friendly enough. Herein, we disclose the first nickel-catalyzed Suzuki-Miyaura cross-coupling of aryl anhydrides and arylboronic acids for the synthesis of biaryls in a decarbonylation manner. The reaction tolerates a wide range of electron-withdrawing, electron-neutral, and electron-donating substituents in this process.

Small Phosphine Ligands Enable Selective Oxidative Addition of Ar-O over Ar-Cl Bonds at Nickel(0)

Entz, Emily D.,Hooker, Leidy V.,Neufeldt, Sharon R.,Russell, John E. A.

, p. 15454 - 15463 (2020/10/18)

Current methods for Suzuki-Miyaura couplings of nontriflate phenol derivatives are limited by their intolerance of halides including aryl chlorides. This is because Ni(0) and Pd(0) often undergo oxidative addition of organohalides at a similar or faster rate than most Ar-O bonds. DFT and stoichiometric oxidative addition studies demonstrate that small phosphines, in particular PMe3, are unique in promoting preferential reaction of Ni(0) with aryl tosylates and other C-O bonds in the presence of aryl chlorides. This selectivity was exploited in the first Ni-catalyzed C-O-selective Suzuki-Miyaura coupling of chlorinated phenol derivatives where the oxygen-containing leaving group is not a fluorinated sulfonate such as triflate. Computational studies suggest that the origin of divergent selectivity between PMe3 and other phosphines differs from prior examples of ligand-controlled chemodivergent cross-couplings. PMe3 effects selective reaction at tosylate due to both electronic and steric factors. A close interaction between nickel and a sulfonyl oxygen of tosylate during oxidative addition is critical to the observed selectivity.

Transition-Metal-Free Cross-Coupling of Aryl Halides with Arylstannanes

He, Qing,Wang, Liwen,Liang, Yong,Zhang, Zunting,Wnuk, Stanislaw F.

, p. 9422 - 9427 (2016/10/17)

Transition-metal-free LiCl-promoted cross-coupling reactions of tetraphenyltin, trichlorophenyl-, dichlorodiphenyl-, and chlorotriphenylstannanes with aryl halides in DMF provided access to biaryls in good to high yields. Up to four phenyl groups were transferred from the organostannanes substrates. The aryls bearing electron-withdrawing groups in either halides or organotin substrates gave coupling products in higher yields. The methodology has been applied for the efficient synthesis of ipriflavones.

Agglomeration of Pd0 nanoparticles causing different catalytic activities of Suzuki carbonylative cross-coupling reactions catalyzed by PdII and Pd0 immobilized on dopamine-functionalized magnetite nanoparticles

Long, Yu,Liang, Kun,Niu, Jianrui,Tong, Xin,Yuan, Bing,Ma, Jiantai

, p. 2988 - 2996 (2015/04/14)

Solvent-dispersible magnetite nanoparticles (Fe3O4) end-functionalized with amino groups were successfully prepared by a facile one-pot template-free method to immobilize PdII and Pd0 using a metal adsorption and reduction procedure. They were characterized by TEM, XRD, XPS, FT-IR and VSM. Interestingly, the PdII catalyst exhibited better catalytic activity for carbonylative cross-coupling reactions than the Pd0 catalyst. According to the catalytic activities of a variety of arylboronic acids and aryl iodides catalyzed by two kinds of Pd catalysts, the proposed reaction mechanism of Suzuki carbonylative cross-coupling reactions using the Pd catalyst was also inferred. More importantly, agglomeration of Pd0 nanoparticles was obviously observed in the TEM images of the catalysts after reactions. Therefore, agglomeration of Pd0 nanoparticles should be considered as a significant reason for different catalytic activities of the reactions catalyzed by immobilized PdII and Pd0 catalysts. Furthermore, the PdII catalyst revealed high efficiency and stability during recycling stages.

Palladium and copper-catalyzed ligand-free coupling of phenylhydrazines in water

Chauhan, Parul,Ravi, Makthala,Singh, Shikha,Raju, Kanumuri S. R.,Bajpai, Vikas,Kumar, Brijesh,Wahajuddin,Yadav, Prem. P.

, p. 43336 - 43340 (2015/02/19)

An efficient protocol has been developed for the synthesis of biaryls via Pd/Cu catalyzed coupling of phenylhydrazines in water. Homo and cross couplings were successfully achieved in a ligand-free catalytic system, at room temperature with water as sole reaction medium. This journal is

Direct exchange of a ketone methyl or aryl group to another aryl group through ciC bond activation assisted by rhodium chelation

Wang, Jingjing,Chen, Weiqiang,Zuo, Sujing,Liu, Lu,Zhang, Xinrui,Wang, Jianhui

supporting information, p. 12334 - 12338 (2013/02/23)

Swapped: Commercially available quinolinone derivatives (1 or 2, see scheme) were reacted with arylboronic acids in the presence of a RhI complex to give aryl(quinolin-8-yl)methanone products 3 in medium to good yields. A mechanism that involves the in situ oxidation of RhI to RhIII by O2 in the presence of CuI was proposed. Copyright

Preparation of unsymmetrical biaryls by pd(II)-catalyzed cross-coupling of aryl iodides

Wang, Liqiang,Lu, Wenjun

supporting information; experimental part, p. 1079 - 1082 (2009/07/25)

The Ullmann homo-and cross-couplings of aryl iodides are carried out to afford symmetrical and unsymmetrical biaryls in moderate to good yields in a catalytic system of Pd(OAc)2/K2CO3/MeCOEt. The high selectivity of unsymmetrical biaryl products in cross-couplings mainly depends on the reactivity difference between two iodoarene substrates and their employed ratios.

A new palladium catalyzed protocol for atom-efficient cross-coupling reactions of?triarylbismuths with aryl halides and triflates

Rao, Maddali L.N.,Jadhav, Deepak N.,Banerjee, Debasis

, p. 5762 - 5772 (2008/09/21)

A new palladium catalyzed protocol for an atom-efficient cross-coupling reaction of triarylbismuths with aryl halides and triflates has been described. The palladium catalytic system with Cs2CO3 base was found to be very efficient in DMA solvent to furnish excellent yields of cross-coupled functionalized biaryls in short reaction times.

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