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N-BOC-N-Methyl-3-bromoaniline, a chemical compound with the molecular formula C13H18BrNO2, is a derivative of aniline that features a bromine atom, a BOC (tert-butoxycarbonyl) protecting group, and a methyl group. This versatile compound is widely recognized for its utility in organic synthesis and pharmaceutical research, where it serves as a reagent for the introduction of its functional group into various molecules. Its role as a building block in the creation of complex organic compounds and its contribution to the development of new drugs and materials highlight its significance in the scientific community.

57598-34-2

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57598-34-2 Usage

Uses

Used in Organic Synthesis:
N-BOC-N-Methyl-3-bromoaniline is used as a reagent for the introduction of its specific group into various organic molecules, facilitating the synthesis of complex organic compounds. Its presence in these reactions allows for the creation of a diverse range of chemical entities with potential applications across different industries.
Used in Pharmaceutical Research:
In the pharmaceutical industry, N-BOC-N-Methyl-3-bromoaniline is utilized as a key intermediate in the development of new drugs. Its unique structure and functional groups make it a valuable component in the design and synthesis of pharmaceutical agents, potentially leading to the discovery of novel therapeutics.
Used in Material Science:
N-BOC-N-Methyl-3-bromoaniline also finds application in material science, where it contributes to the development of new materials with specific properties. Its integration into the molecular structure of these materials can influence their characteristics, such as stability, reactivity, or selectivity, making it a useful tool in material innovation.
Safety Considerations:
Given its hazardous nature, N-BOC-N-Methyl-3-bromoaniline should be handled with care by trained professionals. Appropriate safety equipment and procedures are essential to mitigate risks associated with its use, ensuring the safety of those involved in its manipulation and the integrity of the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 57598-34-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,5,9 and 8 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 57598-34:
(7*5)+(6*7)+(5*5)+(4*9)+(3*8)+(2*3)+(1*4)=172
172 % 10 = 2
So 57598-34-2 is a valid CAS Registry Number.

57598-34-2SDS

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 tert-butyl N-(3-bromophenyl)-N-methylcarbamate

1.2 Other means of identification

Product number -
Other names N-Boc 3-bromo-N-methylaniline

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:57598-34-2 SDS

57598-34-2Relevant academic research and scientific papers

DIACYLGLYCEROL KINASE MODULATING COMPOUNDS

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Paragraph 1833, (2021/07/02)

The present disclosure provides diacylglycerol kinase modulating compounds, and pharmaceutical compositions thereof, for treating cancer, including solid tumors, and viral infections, such as HIV or hepatitis B virus infection. The compounds can be used alone or in combination with other agents.

Investigation of the molecular characteristics of bisindole inhibitors as HIV-1 glycoprotein-41 fusion inhibitors

Zhou, Guangyan,Chu, Shidong,Nemati, Ariana,Huang, Chunsheng,Snyder, Beth A.,Ptak, Roger G.,Gochin, Miriam

, p. 533 - 542 (2018/11/06)

In previous work, we described 6-6‘-bisindole compounds targeting a hydrophobic pocket on the N-heptad repeat region of viral glycoprotein-41 as effective inhibitors of HIV-1 fusion. Two promising compounds with sub-micromolar IC50's contained a benzoic acid group and a benzoic acid ester attached at the two indole nitrogens. Here we have conducted a thorough structure-activity relationship (SAR) study evaluating the contribution of each of the ring systems and various substituents to compound potency. Hydrophobicity, polarity and charge were varied to produce 35 new compounds that were evaluated in binding, cell-cell fusion and viral infectivity assays. We found that (a) activity based solely on increasing hydrophobic content plateaued at ~ 200 nM; (b) the bisindole scaffold surpassed other heterocyclic ring systems in efficacy; (c) a polar interaction possibly involving Gln575 in the pocket could supplant less specific hydrophobic interactions; and (d) the benzoic acid ester moiety did not appear to form specific contacts with the pocket. The importance of this hydrophobic group to compound potency suggests a mechanism whereby it might interact with a tertiary component during fusion, such as membrane. A promising small molecule 10b with sub-μM activity was discovered with molecular weight 500 da and reduced logP compared to earlier compounds. The work provides insight into requirements for small molecule inhibition of HIV-1 fusion.

MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS

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, (2019/06/19)

The present disclosure provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.

A 2,6-bis(phenylamino)pyridinato titanium catalyst for the highly regioselective hydroaminoalkylation of styrenes and 1,3-butadienes

Doerfler, Jaika,Preuss, Till,Schischko, Alexandra,Schmidtmann, Marc,Doye, Sven

, p. 7918 - 7922 (2014/08/05)

The C-C bond forming catalytic hydroaminoalkylation of terminal alkenes, 1,3-dienes, or styrenes allows a direct and highly atom efficient (100 %) synthesis of amines which can result in the formation of two regioisomers, the linear and the branched product. We present a new titanium catalyst with 2,6-bis(phenylamino)pyridinato ligands for intermolecular hydroaminoalkylation reactions of styrenes and 1-phenyl-1,3-butadienes that delivers the corresponding linear hydroaminoalkylation products with excellent regioselectivities. Linear progress: A new Ti complex with 2,6-bis(phenylamino) pyridinato ligands catalyzes highly regioselective hydroaminoalkylation reactions of styrenes. The process that directly gives access to the corresponding linear hydroaminoalkylation products offers a new and flexible synthetic approach towards pharmaceutically important 3-arylpropylamines. It is also possible to convert (E)-1-phenyl-1,3-butadienes into the corresponding linear products.

NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARγ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS

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, (2008/06/13)

The invention relates to novel biaromatic compounds which correspond to the following general formula (I) and to their method of preparation and to their use in pharmaceutical compositions intended for use in human or veterinary medicine, in particular in

NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARγ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS

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Page 38, (2008/06/13)

The invention relates to novel biaromatic compounds which correspond to the general formula (I), and also to a process for preparing them and to their use in pharmaceutical compositions intended for use in human or veterinary medicine (in dermatology, and also in the field of cardiovascular diseases, immune diseases and/or diseases associated with lipid metabolism), or alternatively in cosmetic compositions.

Sulfonamide inhibitors of aspartyl protease

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, (2008/06/13)

The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical

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