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4-Bromophenoxyacetaldehyde diethylacetal, with the molecular formula C12H17BrO3, is a colorless liquid chemical compound characterized by a sweet odor. It serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals, and is recognized for its utility as a building block in organic synthesis for the production of aromatic compounds. Its potential as a reagent in the preparation of complex organic molecules positions it as a valuable asset in chemical research and development, with applications across various industries such as pharmaceuticals, agrochemicals, and academic research.

112598-18-2

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112598-18-2 Usage

Uses

Used in Pharmaceutical Industry:
4-Bromophenoxyacetaldehyde diethylacetal is used as a key intermediate in the synthesis of various pharmaceutical compounds, contributing to the development of new drugs and medicines. Its reactivity and versatility make it an essential component in the creation of a wide range of therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Bromophenoxyacetaldehyde diethylacetal is utilized as an intermediate for the synthesis of agrochemicals, including pesticides and herbicides. Its role in these applications aids in enhancing crop protection and agricultural productivity.
Used in Academic Research:
4-Bromophenoxyacetaldehyde diethylacetal is employed as a reagent in the preparation of complex organic molecules in academic research. Its use in this context facilitates the exploration of new chemical reactions and the discovery of novel compounds with potential applications in various fields.
Used in Organic Synthesis:
As a building block in organic synthesis, 4-Bromophenoxyacetaldehyde diethylacetal is used for the production of various aromatic compounds. Its presence in this process is crucial for the creation of specialty chemicals and materials with specific properties for diverse applications.

Check Digit Verification of cas no

The CAS Registry Mumber 112598-18-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,5,9 and 8 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 112598-18:
(8*1)+(7*1)+(6*2)+(5*5)+(4*9)+(3*8)+(2*1)+(1*8)=122
122 % 10 = 2
So 112598-18-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H17BrO3/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3

112598-18-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-4-(2,2-diethoxyethoxy)benzene

1.2 Other means of identification

Product number -
Other names 4-Bromophenoxyacetaldehyde diethylacetal

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:112598-18-2 SDS

112598-18-2Relevant academic research and scientific papers

Synthesis of piperazino-substituted benzo[b]furans as potential CNS agents

Klenc, Jeff,Strekowski, Lucjan

, p. 249 - 252 (2010)

The synthesis of a series of substituted benzofurans is reported. Selected compounds have been shown to bind strongly and with high selectivity to the serotonin receptor 5-HT2A in the presence of the receptor 5-HT 7 in vitro.

Direct Dimesitylborylation of Benzofuran Derivatives by an Iridium-Catalyzed C?H Activation with Silyldimesitylborane

Shishido, Ryosuke,Sasaki, Ikuo,Seki, Tomohiro,Ishiyama, Tatsuo,Ito, Hajime

supporting information, p. 12924 - 12928 (2019/11/05)

Direct dimesitylborylation of benzofuran derivatives by a C?H activation catalyzed by an iridium(I)/N-heterocyclic carbene (NHC) complex in the presence of Ph2MeSi-BMes2 afforded the corresponding dimesitylborylation products in good to high yield with excellent regioselectivity. This method provides a straightforward route to donor–(π-spacer)–acceptor systems with intriguing solvatochromic luminescence properties.

Palladium-Catalyzed Regioselective C-2 Arylation of Benzofurans with N′-Acyl Arylhydrazines

Cao, Jun,Chen, Zi-Li,Li, Shu-Min,Zhu, Gao-Feng,Yang, Yuan-Yong,Wang, Cong,Chen, Wen-Zhang,Wang, Jian-Ta,Zhang, Ji-Quan,Tang, Lei

supporting information, p. 2774 - 2779 (2018/06/21)

A novel ligand-free palladium-catalyzed C-2 arylation of benzofurans has been developed using N′-acyl arylhydrazines as the coupling partners and TEMPO as an oxidant. This protocol features a wide functional-group tolerance and highly regioselective products with good to excellent yields.

BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS

-

Page/Page column 130, (2017/07/06)

The present invention relates to biaryl monobactam compounds of Formula I: and pharmaceutically acceptable salts thereof, wherein X, Y, Z, A1, Q, A2, M, W, RX and Rz are as defined herein. The present invention also relates to compositions which comprise a biaryl monobactam compound of the invention or a pharmaceutically acceptable salt therof, and a pharmaceutically acceptable carrier. The invention further relates to methods for treating a bacterial infection comprising administering to the patient a therapeutically effective amount of a compound of the invention, either alone or in combination with a therapeutically effective amount of a second beta-lactam antibiotic.

Visible light-induced monofluoromethylenation of heteroarenes with ethyl bromofluoroacetate

Yu, Wei,Xu, Xiu-Hua,Qing, Feng-Ling

supporting information, p. 6564 - 6567 (2016/08/09)

Visible light-induced monofluoromethylenation of benzofurans and benzothiophenes with ethyl bromofluoroacetate was developed. This method provided a convenient access to novel α-fluoro-α-heteroarylesters under mild reaction conditions.

Zeolite-catalyzed synthesis of 2,3-unsubstituted benzo[b]furans via the intramolecular cyclization of 2-aryloxyacetaldehyde acetals

Sun, Nan,Huang, Peng,Wang, Yifan,Mo, Weimin,Hu, Baoxiang,Shen, Zhenlu,Hu, Xinquan

supporting information, p. 4835 - 4841 (2015/07/27)

An efficient and environmentally benign heterogeneous catalytic process for the synthesis of 2,3-unsubstituted benzo[b]furans has been established via the intramolecular cyclization of 2-aryloxyacetaldehyde acetals. By utilizing tin-exchanged H-β zeolite (Sn-β) as catalyst, a wide range of functionalized 2,3-unsubstituted benzo[b]furans could be prepared in good to excellent yields. The Sn-β zeolite catalyst also exhibited excellent shape selectivity on the cyclization of meta-substituted 2-aryloxyacetaldehyde acetals, and 6-substituted isomers were preferably formed up to 97% regio-selectivity. Moreover, Sn-β zeolite could be easily recovered and reused without any noticeable activity loss.

Thiosemicarbazones as Aedes aegypti larvicidal

Da Silva, Jo?o Bosco P.,Navarro, Daniela Maria Do A.F.,Da Silva, Aluizio G.,Santos, Geanne K.N.,Dutra, Kamilla A.,Moreira, Diogo Rodrigo,Ramos, Mozart N.,Espíndola, José Wanderlan P.,De Oliveira, Ana Daura T.,Brondani, Dalci José,Leite, Ana Cristina L.,Hernandes, Marcelo Zaldini,Pereira, Valéria R.A.,Da Rocha, Lucas F.,De Castro, Maria Carolina A.B.,De Oliveira, Beatriz C.,Lan, Que,Merz, Kenneth M.

, p. 162 - 175 (2015/06/22)

Abstract A set of aryl- and phenoxymethyl-(thio)semicarbazones were synthetized, characterized and biologically evaluated against the larvae of Aedes aegypti (A. egypti), the vector responsible for diseases like Dengue and Yellow Fever. (Q)SAR studies were useful for predicting the activities of the compounds not included to create the QSAR model as well as to predict the features of a new compound with improved activity. Docking studies corroborated experimental evidence of AeSCP-2 as a potential target able to explain the larvicidal properties of its compounds. The trend observed between the in silico Docking scores and the in vitro pLC50 (equals -log LC50, at molar concentration) data indicated that the highest larvicidal compounds, or the compounds with the highest values for pLC50, are usually those with the higher docking scores (i.e., greater in silico affinity for the AeSCP-2 target). Determination of cytotoxicity for these compounds in mammal cells demonstrated that the top larvicide compounds are non-toxic.

HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK

-

Page/Page column 15, (2012/11/08)

Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.

PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES

-

Page/Page column 38, (2011/09/15)

The present invention provides several synthetic methods for preparing N-(2-butylbenzofuran-5-yl)-N-(methylsulfonyl)methanesulfonamide, a compound of formula (3), an intermediate in the preparation of Dronedarone. The present invention further provides a process for preparing Dronedarone, comprising the steps of converting 2-butyl-5-bis(methanesulfon)-amidobenzofuran of formula (3) to Dronedarone, wherein the 2-butyl-5-bis(methanesulfon)-amidobenzofuran of formula (3) is prepared by the processes of the present invention.

CONDENSED HETEROCYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY

-

Page/Page column 98, (2010/04/03)

The present disclosure provides compounds having affinity for the 5-HT6 receptor which are of the formula (I) wherein R1, A, B, D, E, G, Q, Ar, n, m, and p are as defined herein. The disclosure also relates to methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

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