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4-Bromo-1(2H)-isoquinolone, a chemical compound with the molecular formula C9H6BrNO, is a bromo-substituted isoquinolone derivative. This class of compounds is recognized for their diverse biological activities. As an important intermediate in organic synthesis, 4-Bromo-1(2H)-isoquinolone is particularly notable for its role in the production of medicinally relevant compounds. Its unique chemical structure and properties have also positioned it as a potential candidate in the development of new drugs and therapeutic agents.

3951-95-9

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3951-95-9 Usage

Uses

Used in Pharmaceutical Industry:
4-Bromo-1(2H)-isoquinolone is used as a building block for the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and properties make it a valuable component in the creation of new medicinal compounds, contributing to the development of innovative treatments and therapies.
Used in Organic Synthesis:
In the field of organic synthesis, 4-Bromo-1(2H)-isoquinolone serves as a key intermediate. Its presence in the synthesis process is crucial for the production of a range of compounds with potential applications in medicine and other industries.
Used in Drug Development:
4-Bromo-1(2H)-isoquinolone is utilized in the research and development of new drugs and therapeutic agents. Its potential use in this area is driven by its diverse biological activities and the ongoing exploration of its capabilities in addressing various health conditions and diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 3951-95-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,9,5 and 1 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 3951-95:
(6*3)+(5*9)+(4*5)+(3*1)+(2*9)+(1*5)=109
109 % 10 = 9
So 3951-95-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H6BrNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)

3951-95-9SDS

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 4-Bromo-1(2H)-isoquinolinone

1.2 Other means of identification

Product number -
Other names 4-Bromo-1(2H)-isoquinolone

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 -
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More Details:3951-95-9 SDS

3951-95-9Relevant academic research and scientific papers

RADICAL ION PAIR MECHANISM OF PHOTOCHEMICAL ISOMERIZATION OF ISOQUINOLINE N-OXIDE IN HYDROXYLIC SOLVENTS, INCLUDING THE MAGNETIC FIELD EFFECT

Hata, Norisuke,Yagi, Atsushi

, p. 309 - 312 (1983)

It was found that, while the photochemical isomerization of isoquinoline N-oxide into lactam shows magnetic field effect due to HFI-J mechanism, the N-oxides bearing an electron-donating substituent are insensitive to an external magnetic field.The results support strongly "radical ion pair mechanism" of the photochemical isomerization.

Efficient visible light mediated synthesis of quinolin-2(1H)-ones from quinolineN-oxides

Bhuyan, Samuzal,Chhetri, Karan,Hossain, Jagir,Jana, Saibal,Mandal, Susanta,Roy, Biswajit Gopal

supporting information, p. 5049 - 5055 (2021/07/29)

Quinolin-2(1H)-ones are one of the important classes of compounds due to their prevalence in natural products and in pharmacologically useful compounds. Here we present an unconventional and hitherto unknown photocatalytic approach to their synthesis from easily available quinoline-N-oxides. This reagent free highly atom economical photocatalytic method, with low catalyst loading, high yield and no undesirable by-product, provides an efficient greener alternative to all conventional synthesis reported to date. The robustness of the methodology has been successfully demonstrated with easy scaling up to the gram scale.

SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME

-

Page/Page column 80, (2020/07/07)

The present invention includes substituted arylmethyl ureas and heteroarylmethyl-ureas, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infections in a patient.

Novel 3-methylindoline inhibitors of EZH2: Design, synthesis and SAR

Ansari, Amantullah,Satalkar, Sharad,Patil, Varshavekumar,Shete, Amit S.,Kaur, Simranjeet,Gupta, Ashu,Singh, Siddhartha,Raja, Mohd.,Severance, Daniel L.,Bernales, Sebastián,Chakravarty, Sarvajit,Hung, David T.,Pham, Son M.,Herrera, Francisco J.,Rai, Roopa

supporting information, p. 217 - 222 (2016/12/27)

EZH2 (enhancer of zeste homologue 2) is the catalytic subunit of the polycomb repressive complex 2 (PRC2) that catalyzes the methylation of lysine 27 of histone H3 (H3K27). Dysregulation of EZH2 activity is associated with several human cancers and theref

THIAZOLES AS MODULATORS OF RORyt

-

Page/Page column 91, (2016/05/19)

The present invention comprises compounds of Formula I. Formula I wherein: R1, R2, R3, R4, R5, R7, R8, and (A) are defined in the specification. The invention also comprises a co

Discovery of isoquinolinone indole acetic acids as antagonists of chemoattractant receptor homologous molecule expressed on TH2 cells (CRTH2) for the treatment of allergic inflammatory diseases

Kaila, Neelu,Follows, Bruce,Leung, Louis,Thomason, Jennifer,Huang, Adrian,Moretto, Alessandro,Janz, Kristin,Lowe, Michael,Mansour, Tarek S.,Hubeau, Cedric,Page, Karen,Morgan, Paul,Fish, Susan,Xu, Xin,Williams, Cara,Saiah, Eddine

, p. 1299 - 1322 (2014/03/21)

Previously we reported the discovery of CRA-898 (1), a diazine indole acetic acid containing CRTH2 antagonist. This compound had good in vitro and in vivo potency, low rates of metabolism, moderate permeability, and good oral bioavailability in rodents. H

PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS

-

Paragraph 0497-0499, (2014/08/06)

The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein all the variables are as defined herein. These compounds are selective ROCK inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating cardiovascular, smooth muscle, oncologic, neuropathologic, autoimmune, fibrotic, and/or inflammatory disorders using the same.

CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA]

-

Page/Page column 101, (2014/01/07)

The invention provides modulators for the orphan nuclear receptor RORy and methods for treating RORy mediated diseases by administering these novel RORy modulators to a human or a mammal in need thereof. Specifically, the present invention provides carboxamide or sulfonamide containing cyclic compounds of Formula (1), (1'), (100), (100'), (200) and (200') and the enantiomers, diastereomers, tautomers, /V-oxides, solvates and pharmaceutically acceptable salts thereof.

Intramolecular [2+2] photocycloaddition of substituted isoquinolones: Enantioselectivity and kinetic resolution induced by a chiral template

Austin, Kerrie A. B.,Herdtweck, Eberhardt,Bach, Thorsten

supporting information; experimental part, p. 8416 - 8419 (2011/10/31)

From simple to complex: Starting from easily accessible isoquinolones 1 (X=Br, OH), complex cyclobutane photoproducts such as compound 2 can be obtained with high enantioselectivity (88-96% ee) through the use of a chiral template. Compound 3, which was i

Simple synthesis of 4-substituted 1(2H)-isoquinolinones via electrophilic trapping of lithiated mono- and dianion precursors

Sercel, Anthony D.,Sanchez, Joseph P.,Showalter, H. D. Hollis

, p. 4199 - 4208 (2008/03/13)

Synthetic routes have been developed to access 4-substituted 1(2H)-isoquinolinones from readily available precursors. This is achieved via electrophilic trapping of di- and monolithium anions derived from alkyllithium exchange of 4-bromo-1(2H)-isoquinolinones and corresponding 4-bromo-1- methoxyisoquinolines, respectively. Products derived from the latter are then hydrolyzed to the target 4-substituted 1(2H)-isoquinolinones. The methodology has potential application to access 4-substituted 1(2H)-isoquinolinones with additional substituents in either ring. Copyright Taylor & Francis Group, LLC.

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