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Benzene, 1-bromo-3-(methoxymethoxy)-, also known as 1-bromo-3-(methoxymethoxy)benzene, is an organic compound with the chemical formula C8H9BrO2. It is a clear, colorless liquid with a strong odor and is highly reactive. This chemical is commonly used as an intermediate in the production of pharmaceuticals and agrochemicals, as well as in the development of fine chemicals such as dyes, fragrances, and flavors. Due to its hazardous nature and potential health risks, it is essential to handle Benzene, 1-bromo-3-(methoxymethoxy)- with caution, as it is a known irritant and may cause harmful effects on the nervous system and organs if inhaled, ingested, or comes into contact with the skin.

42471-59-0

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42471-59-0 Usage

Uses

Used in Pharmaceutical Industry:
Benzene, 1-bromo-3-(methoxymethoxy)is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
Benzene, 1-bromo-3-(methoxymethoxy)is also utilized as an intermediate in the production of agrochemicals, contributing to the development of pesticides and other agricultural chemicals that help protect crops and enhance agricultural productivity.
Used in Fine Chemicals Industry:
Benzene, 1-bromo-3-(methoxymethoxy)is employed in the development of fine chemicals, such as dyes, fragrances, and flavors. Its versatile chemical properties enable the creation of a wide range of products used in various consumer goods and industrial applications.
Used in Research and Development:
Due to its reactivity and unique structure, Benzene, 1-bromo-3-(methoxymethoxy)is often used in research and development settings to explore new chemical reactions and syntheses, potentially leading to the discovery of novel compounds and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 42471-59-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,4,7 and 1 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 42471-59:
(7*4)+(6*2)+(5*4)+(4*7)+(3*1)+(2*5)+(1*9)=110
110 % 10 = 0
So 42471-59-0 is a valid CAS Registry Number.

42471-59-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-3-(methoxymethoxy)benzene

1.2 Other means of identification

Product number -
Other names 3-bromophenol methoxymethyl ether

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:42471-59-0 SDS

42471-59-0Relevant academic research and scientific papers

Solvent-mediated tuning of the regioselectivity of intramolecular diaryl ether formation: Total synthesis of (+)-aspercyclide C

Yoshino, Tatsuya,Yamashita, Shuji,Sato, Itaru,Hayashi, Yujiro,Hirama, Masahiro

, p. 349 - 351 (2014)

A concise total synthesis of the 11-membered cyclic (+)-aspercyclide C is reported. Key to success was the fine-tuning of the reaction media to realize an oxidative, macrocyclic diaryl C-O bond formation in a regioselective and direct fashion.

Balanced Intersystem Crossing in Iodinated Silicon-Fluoresceins Allows New Class of Red Shifted Theranostic Agents

Cetin, Sultan,Elmazoglu, Zubeyir,Karaman, Osman,Gunduz, Hande,Gunbas, Gorkem,Kolemen, Safacan

, p. 752 - 757 (2021)

Iodination of the silicon-fluorescein core revealed a new class of highly cytotoxic, red-shifted and water-soluble photosensitizer (SF-I) which is also fairly emissive to serve as a theranostic agent. Singlet oxygen generation capacity of SF-I was evaluated chemically, and up to 45% singlet oxygen quantum yield was reported in aqueous solutions. SF-I was further tested in triple negative breast (MDA MB-231) and colon (HCT-116) cancer cell lines, which are known to have limited chemotherapy options as well as very poor prognosis. SF-I induced efficient singlet oxygen generation and consequent photocytotoxicity in both cell lines upon light irradiation with a negligible dark toxicity while allowing cell imaging at the same time. SF-I marks the first ever example of a silicon xanthene-based photosensitizer and holds a lot of promise as a small-molecule-based theranostic scaffold.

Palladium-Catalyzed Regioselective Synthesis of 1-Hydroxycarbazoles Under Aerobic Conditions

Youn, So Won,Kim, Young Ho,Jo, Yoon Hyung

supporting information, p. 462 - 468 (2019/01/04)

A palladium-catalyzed aerobic C?H amidation of N-Ts-2-amino-3′-hydroxylbiaryls has been developed to afford a diverse range of 1-hydroxycarbazoles with high regioselectivity and efficiency. This protocol benefits from operational simplicity, robustness, a

A Copper-Mediated Conjugate Addition Approach to Analogues of Aconitine-Type Diterpenoid Alkaloids

Doering, Nicolle A.,Kou, Kevin G. M.,Norseeda, Krissada,Lee, Jack C.,Marth, Christopher J.,Gallego, Gary M.,Sarpong, Richmond

, p. 12911 - 12920 (2018/10/09)

A copper-mediated conjugate addition of electron-rich aryl groups into a complex vinyl nitrile using arylmagnesium bromides is reported. The conjugate addition adducts were advanced toward the synthesis of designed aconitine-type analogues. The variation

CARM1 INHIBITORS AND USES THEREOF

-

Paragraph 00445, (2016/04/09)

Provided herein are compounds of Formula (I): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein X, R1, R1a, R2a, R2b, R2c, R2d, are as defined herein, and Ring HET is a 6-membered monocyclic heteroaryl ring system of Formula: wherein L2, R13, G8, G10, G11, and G12 are as defined herein. Compounds of the present invention are useful for inhibiting CARMl activity. Methods of using the compounds for treating CARMl -mediated disorders are also described.

Total synthesis of cyclo-mumbaistatin analogues through anionic homo-fries rearrangement

Neufeind, Stefan,Huelsken, Nils,Neudoerfl, Joerg-Martin,Schloerer, Nils,Schmalz, Hans-Guenther

supporting information; experimental part, p. 2633 - 2641 (2011/04/16)

The structurally unique polyketide mumbaistatin is the strongest naturally occurring inhibitor of glucose-6-phosphate translocase-1 (G6P-T1), which is a promising target for drugs against type-2 diabetes mellitus and angiogenic processes associated with brain tumor development. Despite its high relevance, mumbaistatin has so far withstood all attempts towards its total synthesis. In the present study an efficient total synthesis of a deoxy-mumbaistatin analogue containing the complete carbon skeleton and a spirolactone motif closely resembling the natural product in its cyclized form was elaborated. Key steps of the synthesis are a Diels-Alder cycloaddition for the construction of the fully functionalized anthraquinone moiety and an anionic homo-Fries rearrangement to build up the tetra-ortho-substituted benzophenone core motif, from which a spiroketal lactone forms in a spontaneous process. The elaborated strategy opens an entry to a variety of new analogs of mumbaistatin and cyclo-mumbaistatin and may be exploited for the total synthesis of the natural product itself in the future.

NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE

-

Page/Page column 67, (2010/09/17)

Heteroaromatic compounds of structural formula (I) are selective inhibitors of stearoyl-coenzyme A delta-9 desat- urase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, such as atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.

Generation and suppression of 3-/4-functionalized benzynes using zinc ate base (TMP-Zn-ate): New approaches to multisubstituted benzenes

Uchiyama, Masanobu,Kobayashi, Yuri,Furuyama, Taniyuki,Nakamura, Shinji,Kajihara, Yumiko,Miyoshi, Tomoko,Sakamoto, Takao,Kondo, Yoshinori,Morokuma, Keiji

, p. 472 - 480 (2008/10/09)

We present full details of our new methods for preparing functionalized benzynes with lithium di-alkyl(2,2,6,6-tetramethylpiperidino)zincate (R 2Zn(TMP)Li) through deprotonative zincation as a key reaction. In this system, by choosing appropriate ligands for the zincate, either regioselective zincation of functionalized haloaromatics or the generation of substituted benzynes can be controlled in good yields with excellent chemoselectivity, using the same substrate. Zincation with tBu 2Zn(TMP)Li followed by electrophilic trapping or zincation with Me2Zn(TMP)Li followed by nucleophilic or diene trapping is shown to be a powerful tool for the chemoselective preparation of 1,2,3-/1,2,4- trisubstituted benzene derivatives. These methods offer far greater generality than previous methods for the synthesis of multifunctionalized benzenes. Computational/theoretical studies of the reaction mechanism of this unique benzyne formation indicated that preferential coordination of the dialkylzinc moiety of zincate to halogen is the reason for the reduced activation energy of the elimination, that is, for the formation of the benzyne. The role of the ligands on Zn in accelerating/decelerating the elimination is also discussed.

Benzopyrans as selective estrogen receptor β agonists (SERBAs). Part 2: Structure-activity relationship studies on the benzopyran scaffold

Richardson, Timothy I.,Norman, Bryan H.,Lugar, Charles W.,Jones, Scott A.,Wang, Yong,Durbin, Jim D.,Krishnan, Venkatesh,Dodge, Jeffrey A.

, p. 3570 - 3574 (2008/02/04)

Benzopyrans are selective estrogen receptor (ER) β agonists (SERBAs), which bind the ER subtypes α and β in opposite orientations. Here we describe structure-activity relationship studies that led to the discovery of bezopyran 5b. X-ray crystal structures

Oxidizing hair coloring agents containing m-Aminophenol derivatives

-

, (2008/06/13)

The object of the present patent application are agents for the oxidative coloring of keratin fibers, particularly hair, based on a developer substance-coupler substance combination, characterized in that they contain at least one meta-aminophenol derivative of general formula (I), wherein R1 denotes hydrogen, a C1-C6 alkyl group, a C2-C4 hydroxyalkyl group, a C2-C4 dihydroxyalkyl group, a C1-C4 alkoxy group or a halogen atom; and R2 denotes hydrogen, a hydroxy group, a carboxylic group, an aminocarbonyl group or a hydroxymethyl group.

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