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1-Methyl-2-(2-methylphenoxy)benzene, also known as 2-(o-tolyloxy)toluene, is an organic compound with the molecular formula C15H16O. It is a colorless to pale yellow liquid with a mild aromatic odor. This chemical is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. It is characterized by its two benzene rings, one of which is substituted with a methyl group and the other with a methoxy group attached to an ortho-methylphenyl group. The compound is insoluble in water but soluble in most organic solvents. Due to its potential applications in the chemical industry, it is important to handle 1-methyl-2-(2-methylphenoxy)benzene with care, as it may have certain health and environmental risks.

4731-34-4

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4731-34-4 Usage

Also known as

1,2-dimethyl-3-phenoxybenzene

Aromatic compound

Yes

Explanation

It has a benzene ring in its chemical structure.

Explanation

The mass of one mole of the compound.

Explanation

The temperature range at which the compound changes from solid to liquid state.

Explanation

The appearance of the compound in its liquid form.

Explanation

The compound has a very mild or barely noticeable smell.

Explanation

The chemical is relatively safe, but should be handled with care and stored properly to prevent exposure and environmental contamination.

Chemical structure

Benzene ring substituted with a methyl group and a 2-methylphenoxy group

Usage

Production of chemical products such as dyes, fragrances, and pharmaceuticals

Molecular weight

208.30 g/mol

Melting point

30-32°C

Physical state

Colorless to pale yellow liquid

Odor

Faint

Toxicity

Not considered highly toxic or harmful

Check Digit Verification of cas no

The CAS Registry Mumber 4731-34-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,7,3 and 1 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 4731-34:
(6*4)+(5*7)+(4*3)+(3*1)+(2*3)+(1*4)=84
84 % 10 = 4
So 4731-34-4 is a valid CAS Registry Number.
InChI:InChI=1/C14H14O/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10H,1-2H3

4731-34-4Relevant academic research and scientific papers

Access to Dibenzofurans through Dimerization/Trimerization of Cyclohexanones Followed by Dehydroaromatization

Jiang, Pingyu,Chen, Shanping,Xia, Yi,Zhang, Qingqing,Deng, Guo-Jun

supporting information, p. 8076 - 8081 (2020/11/02)

A novel and efficient method for the synthesis of unsymmetrical substituted dibenzofurans has been developed, which can selectively produce disubstituted dibenzofurans and trisubstituted dibenzofurans products under metal-free conditions. This approach starts from cheap and available nonaromatic cyclohexanones, affording a simple and efficient access to unsymmetrical substituted dibenzofurans.

Cu-Catalyzed C-N Coupling with Sterically Hindered Partners

Modak, Atanu,Nett, Alex J.,Swift, Elizabeth C.,Haibach, Michael C.,Chan, Vincent S.,Franczyk, Thaddeus S.,Shekhar, Shashank,Cook, Silas P.

, p. 10495 - 10499 (2020/10/03)

Copper, an earth-abundant metal, has reemerged as a viable alternative to the versatile Pd-catalyzed C-N coupling. Coupling sterically hindered reaction partners, however, remains challenging. Herein, we disclose the discovery and development of a pyrrole-ol ligand to facilitate the coupling of ortho-substituted aryl iodides with sterically hindered amines. The ligand was discovered through a library screening approach and highlights the value of mining heteroatom-rich pharmaceutical libraries for useful ligand motifs. Further evaluation revealed that this ligand is uniquely effective in these challenging transformations. The reaction enables the coupling of sterically hindered primary and secondary amines, anilines, and amides with broad functional group tolerance.

Competing Pathways in O-Arylations with Diaryliodonium Salts: Mechanistic Insights

Stridfeldt, Elin,Lindstedt, Erik,Reitti, Marcus,Blid, Jan,Norrby, Per-Ola,Olofsson, Berit

supporting information, p. 13249 - 13258 (2017/09/12)

A mechanistic study of arylations of aliphatic alcohols and hydroxide with diaryliodonium salts, to give alkyl aryl ethers and diaryl ethers, has been performed using experimental techniques and DFT calculations. Aryne intermediates have been trapped, and additives to avoid by-product formation originating from arynes have been found. An alcohol oxidation pathway was observed in parallel to arylation; this is suggested to proceed by an intramolecular mechanism. Product formation pathways via ligand coupling and arynes have been compared, and 4-coordinated transition states were found to be favored in reactions with alcohols. Furthermore, a novel, direct nucleophilic substitution pathway has been identified in reactions with electron-deficient diaryliodonium salts.

Green alternative solvents for the copper-catalysed arylation of phenols and amides

Sambiagio, Carlo,Munday, Rachel H.,John Blacker,Marsden, Stephen P.,McGowan, Patrick C.

, p. 70025 - 70032 (2016/08/06)

Investigation of the use of green organic solvents for the Cu-catalysed arylation of phenols and amides is reported. Alkyl acetates proved to be efficient solvents in the catalytic processes, and therefore excellent alternatives to the typical non-green solvents used for Cu-catalysed arylation reactions. Solvents such as isosorbide dimethyl ether (DMI) and diethyl carbonate also appear to be viable possibilities for the arylation of phenols. Finally, a novel copper catalysed acyl transfer process is reported.

Palladium-Catalyzed Sequential Acylation/Cyanation of Aryl Iodides: A Regiospecific Synthesis of 2-Cyanoaryl Ketones

Pan, Shanfei,Wu, Feifei,Yu, Ruicheng,Chen, Wanzhi

, p. 1558 - 1564 (2016/03/01)

A palladium-catalyzed, norbornene-mediated acylation/cyanation reaction of iodobenzene was developed by the use of acyl chlorides as acylation reagents and cuprous cyanide. The reaction gave the 2-cyanoaryl ketones efficiently by using readily available starting materials. (Chemical Equation Presented).

The coupling reactions of aryl halides and phenols catalyzed by palladium and MOP-type ligands

Zhang, Yi,Ni, Gang,Li, Chengjun,Xu, Sheng,Zhang, Zhaoguo,Xie, Xiaomin

, p. 4927 - 4932 (2015/06/23)

Palladium-catalyzed coupling reactions of aryl halides and phenols are described employing the bulky and electron-rich MOP-type ligands. When K3PO4 was used as base and toluene as solvent, the catalyst system exhibited high efficiency for the coupling reaction of the activated aryl halides. When NaH was used as base and o-xylene as solvent, unactivated aryl halides can be used as substrates.

Discovery of benzylisothioureas as potent divalent metal transporter 1 (DMT1) inhibitors

Zhang, Zaihui,Kodumuru, Vishnumurthy,Sviridov, Serguei,Liu, Shifeng,Chafeev, Mikhail,Chowdhury, Sultan,Chakka, Nagasree,Sun, Jianyu,Gauthier, Simon J.,Mattice, Maryanne,Ratkay, Laszlo G.,Kwan, Rainbow,Thompson, Jay,Cutts, Alison Brownlie,Fu, Jianmin,Kamboj, Rajender,Goldberg, Y. Paul,Cadieux, Jay A.

scheme or table, p. 5108 - 5113 (2012/08/28)

Inhibition of intestinal brush border DMT1 offers a novel therapeutic approach to the prevention and treatment of disorders of iron overload. Several series of diaryl and tricyclic benzylisothiourea compounds as novel and potent DMT1 inhibitors were discovered from the original hit compound 1. These compounds demonstrated in vitro potency against DMT1, desirable cell permeability properties and a dose-dependent inhibition of iron uptake in an acute rat model of iron hyperabsorption. Tricyclic compounds increased the in vitro potency by up to 16-fold versus the original hit. Diaryl compounds 6b and 14a demonstrated significant iron absorption inhibition in vivo with both 25 and 50 mg/kg doses. The diaryl and tricyclic compounds described in this report represent promising structural templates for further optimization.

PROCESS FOR THE CATALYTIC SYNTHESIS OF DIARYL ETHERS

-

Page/Page column 3; 5, (2009/06/27)

Described is a process for preparing diaryl ethers of the formula (I) [in-line-formulae]Ar—O—Ar′??(I)[/in-line-formulae]In which Ar is an aryl or substituted aryl group and Ar′ is an aryl, substituted aryl, heteroaryl or substituted heteroaryl group,by reacting an aryl of formula (II) or a aryloxy salt of formula (III) [in-line-formulae]Ar—OH ??(II)[/in-line-formulae] [in-line-formulae]Ar—OR ??(III)[/in-line-formulae]In which Ar has the same meaning as in formula (I) and R is an alkali metal,with an aryl or heteroaryl bromide of formula (IV) [in-line-formulae]Ar′—Br ??(IV)[/in-line-formulae]In which Ar′ has the same meaning as in formula (I),characterized in that the reaction is carried out in the presence of a copper(I)salt and a 1-substituted imidazole as catalyst system.

Tris-(2-aminoethyl) amine as a novel and efficient tripod ligand for a copper(I)-catalyzed C-O coupling reaction

Jogdand, Nivrutti R.,Shingate, Bapurao B.,Shingare, Murlidhar S.

experimental part, p. 4019 - 4021 (2009/11/30)

We have introduced a novel, efficient, commercially available and economically attractive N-donor tripod ligand, tris-(2-aminoethyl)amine for copper-catalyzed Ullmann diaryl ether synthesis. This catalyst system is highly active for both aryl iodides and aryl bromides. Variously substituted diaryl ethers have been synthesized in good to excellent yields.

Homocoupling of arylboronic acids catalyzed by 1,10-phenanthroline-ligated copper complexes in air

Kirai, Naohiro,Yamamoto, Yoshihiko

experimental part, p. 1864 - 1867 (2009/08/17)

The efficient homocoupling of arylboronic acids was achieved by using the catalytic combination of inexpensive copper salts and 1,10-phenanthroline as aligand. The homocoupling reaction proceeds at ambient temperature in air without any additives such as base or oxidant. This method tolerates various substituents on the arylboronic acids such as halogens, carbonyls, and a nitro group. As a result, 25 symmetrical biaryls were obtained from readily available arylboronic acids in 19-92% isolated yields. A binuclear (μ- hydroxido)copper complex is assumed as the catalytically active species, which undergoes efficient transmetalation with arylboronic acids to produce dinuclear arylcopper complexes. The binuclear structure is assumed to be essential for the bimetallic reductive elimination of biaryls as well as the oxidative restoration of the catalyst. Wiley-VCH Verlag GmbH & Co, KGaA.

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