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4-Benzyloxychlorobenzene, an organic compound with the chemical formula C13H11ClO, is a chlorinated benzene derivative featuring a benzyl ether functional group. It is a colorless to pale yellow liquid with a faint odor, known for its use as an intermediate in the synthesis of pharmaceuticals and in the production of dyes and fragrance compounds. Due to its flammability and reactivity with other chemicals, it is considered a hazardous chemical that requires careful handling and storage in a controlled environment.

7700-27-8

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7700-27-8 Usage

Uses

Used in Pharmaceutical Industry:
4-Benzyloxychlorobenzene is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in Dye and Fragrance Industry:
In the dye and fragrance industry, 4-Benzyloxychlorobenzene is utilized in the manufacturing of dyes and fragrance compounds. Its chemical properties contribute to the creation of vibrant colors and distinct scents for various applications.
Used in Chemical Research:
4-Benzyloxychlorobenzene is also employed in chemical research for studying the properties and reactions of chlorinated benzene derivatives and benzyl ether functional groups. This research can lead to the discovery of new chemical processes and applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 7700-27-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,7,0 and 0 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 7700-27:
(6*7)+(5*7)+(4*0)+(3*0)+(2*2)+(1*7)=88
88 % 10 = 8
So 7700-27-8 is a valid CAS Registry Number.
InChI:InChI=1/C13H11ClO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2

7700-27-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-chloro-4-phenylmethoxybenzene

1.2 Other means of identification

Product number -
Other names 1-benzyloxy-4-chlorobenzene

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:7700-27-8 SDS

7700-27-8Relevant academic research and scientific papers

Transition-Metal-Free and Base-Promoted Carbon-Heteroatom Bond Formation via C-N Cleavage of Benzyl Ammonium Salts

Liu, Long,Tang, Yuanyuan,Wang, Kunyu,Huang, Tianzeng,Chen, Tieqiao

, p. 4159 - 4170 (2021/03/09)

A facile and general method for constructing carbon-heteroatom (C-P, C-O, C-S, and C-N) bonds via C-N cleavage of benzyl ammonium salts under transition-metal-free conditions was reported. The combination of t-BuOK and 18-crown-6 enabled a wide range of substituted benzyl ammonium salts to couple readily with different kinds of heteroatom nucleophiles, i.e. hydrogen phosphoryl compounds, alcohols, thiols, and amines. Good functional group tolerance was demonstrated. The scale-up reaction and one-pot synthesis were also successfully performed.

A facile and versatile electro-reductive system for hydrodefunctionalization under ambient conditions

Huang, Binbin,Guo, Lin,Xia, Wujiong

supporting information, p. 2095 - 2103 (2021/03/26)

A general electrochemical system for reductive hydrodefunctionalization is described, employing the inexpensive and easily available triethylamine (Et3N) as a sacrificial reductant. This protocol is characterized by facile operation, sustainable conditions, and exceptionally wide substrate scope covering the cleavage of C-halogen, N-S, N-C, O-S, O-C, C-C and C-N bonds. Notably, the selectivity and capability of reduction can be conveniently switched by simple incorporation or removal of an alcohol as a co-solvent.

MALIC ENZYME INHIBITORS

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Page/Page column 94, (2021/04/23)

The present invention relates to novel compounds useful as malic enzyme (ME) inhibitors, processes for their preparation and use of these compounds for the therapeutic treatment of disorders mediated by ME such as cancers (e.g. pancreatic ductal adenocarcinoma (PDAC)) in humans.

Oxalohydrazide Ligands for Copper-Catalyzed C?O Coupling Reactions with High Turnover Numbers

Ray, Ritwika,Hartwig, John F.

supporting information, p. 8203 - 8211 (2021/03/08)

Here, we report a class of ligands based on oxalohydrazide cores and N-amino pyrrole and N-amino indole units that generates long-lived copper catalysts for couplings that form the C?O bonds in biaryl ethers. These Cu-catalyzed coupling of phenols with aryl bromides occurred with turnovers up to 8000, a value which is nearly two orders of magnitude higher than those of prior couplings to form biaryl ethers and nearly an order of magnitude higher than those of any prior copper-catalyzed coupling of aryl bromides and chlorides. This ligand also led to copper systems that catalyze the coupling of aryl chlorides with phenols and the coupling of aryl bromides and iodides with primary benzylic and aliphatic alcohols. A wide variety of functional groups including nitriles, halides, ethers, ketones, amines, esters, amides, vinylarenes, alcohols and boronic acid esters were tolerated, and reactions occurred with aryl bromides in pharmaceutically related structures.

α-Lithiobenzyloxy as a Directed Metalation Group in ortho-Lithiation Reactions

Sedano, Carlos,Velasco, Rocío,Feberero, Claudia,Suárez-Pantiga, Samuel,Sanz, Roberto

supporting information, p. 6365 - 6369 (2020/08/24)

The α-lithiobenzyloxy group, easily generated from aryl benzyl ethers by selective α-lithiation with t-BuLi at low temperature, behaves as a directed metalation group (DMG) providing a direct access to o-lithiophenyl α-lithiobenzyl ethers. This ortho-directing effect is reinforced in substrates bearing an additional methoxy group at the meta position. The generated dianions can be reacted with a selection of electrophiles including carboxylic esters and dihalosilanes or germanes, which afford interesting benzofuran, sila(germa)dihydrobenzofuran, and silachroman derivatives from simple aryl benzyl ethers.

To the methoxy ethyl phenol synthesis method (by machine translation)

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Paragraph 0025-0030, (2018/11/04)

The invention discloses a method for synthesizing methoxy ethyl phenol, to the chlorophenol as the starting material, through the phenolic hydroxyl protection, format reaction, methylation and hydrogenation debenzylation reaction to obtain the target product to the methoxy ethyl phenol process, the methylation reaction is just a simple filtering operation that can be used for the next step reaction, without any other operation. This invention adopts the [...] as the starting material to synthesize to methoxy ethyl phenol, reduce the difficulty of after treatment, reduce the reaction time, the product has high purity, high yield, good stability of the product. (by machine translation)

Exploring the Reactivity of α-Lithiated Aryl Benzyl Ethers: Inhibition of the [1,2]-Wittig Rearrangement and the Mechanistic Proposal Revisited

Velasco, Rocío,Silva López, Carlos,Nieto Faza, Olalla,Sanz, Roberto

supporting information, p. 15058 - 15068 (2016/10/11)

By carefully controlling the reaction temperature, treatment of aryl benzyl ethers with tBuLi selectively leads to α-lithiation, generating stable organolithiums that can be directly trapped with a variety of selected electrophiles, before they can undergo the expected [1,2]-Wittig rearrangement. This rearrangement has been deeply studied, both experimentally and computationally, with aryl α-lithiated benzyl ethers bearing different substituents at the aryl ring. The obtained results support the competence of a concerted anionic intramolecular addition/elimination sequence and a radical dissociation/recombination sequence for explaining the tendency of migration for aryl groups. The more favored rearrangements are found for substrates with electron-poor aryl groups that favor the anionic pathway.

Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System

Kuriyama, Masami,Hamaguchi, Norihisa,Yano, Gemba,Tsukuda, Kotaro,Sato, Kanako,Onomura, Osamu

, p. 8934 - 8946 (2016/10/14)

The catalytic deuterodechlorination of aryl/heteroaryl chlorides was developed with a palladium/unsymmetrical NHC system, and the precisely controlled introduction of deuterium into a variety of aryl/heteroaryl compounds was achieved with a high level of efficiency, selectivity, and deuteration degree. This method was also successfully applied to the transformation of bioactive agents even in a gram-scale synthesis. The crystal structure analysis of Pd-NHC complexes led to the observation of Pd-arene interaction.

α-Lithiated Aryl Benzyl Ethers: Inhibition of [1,2]-Wittig Rearrangement and Application to the Synthesis of Benzo[b]furan Derivatives

Velasco, Rocío,Feberero, Claudia,Sanz, Roberto

supporting information, p. 4416 - 4419 (2015/09/28)

The use of t-BuLi at low temperature selectively leads to α-lithiation of benzyl phenyl ether generating a stable organolithium, which can be efficiently trapped with a variety of selected electrophiles prior to suffering the expected [1,2]-Wittig rearrangement. In the case of (o-alkynyl)phenyl benzyl ethers, the intermediate α-aryloxyorganolithium undergoes an unexpected anti intramolecular carbolithiation reaction leading to functionalized benzo[b]furan derivatives.

Copper-catalyzed Ullmann-type synthesis of diaryl ethers assisted by salicylaldimine ligands

Qian, Cun-Wei,Lv, Wen-Lin,Zong, Qian-Shou,Wang, Mao-Yuan,Fang, Dong

, p. 337 - 340 (2014/02/14)

A series of salicylaldimine ligands were designed to promote the copper-catalyzed Ullmann cross-coupling reaction. After a screening process, 2-((2-isopropylphenylimino)methyl)phenol was found to serve as a good supporting ligand for this reaction. Employing this Schiff-base ligand as a new supporting ligand, the copper-catalyzed coupling reactions of aryl bromides and aryl iodides with various phenols successfully proceeded in good yields under mild conditions. Various diaryl ethers were obtained with excellent yields in dioxane in the presence of K3PO4 and a catalytic amount of copper(I) salt.

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