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5-BROMO-2,3-DIHYDRO-2,2-DIMETHYL-1H-INDEN-1-ONE is an organic compound with the molecular formula C11H13BrO. It is a derivative of indenone, featuring a bromo substituent at the 5-position, and two methyl groups at the 2-position. 5-BROMO-2,3-DIHYDRO-2,2-DIMETHYL-1H-INDEN-1-ONE is known for its potential applications in the pharmaceutical and chemical industries due to its unique structural properties.

495414-32-9

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495414-32-9 Usage

Uses

Used in Pharmaceutical Industry:
5-BROMO-2,3-DIHYDRO-2,2-DIMETHYL-1H-INDEN-1-ONE is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structural features make it a valuable building block for the development of new drugs with potential therapeutic applications.
Used in the Preparation of GPR35 Modulators:
5-BROMO-2,3-DIHYDRO-2,2-DIMETHYL-1H-INDEN-1-ONE is used as a starting material in the preparation of substituted Triazolopyrimidines, which are known as GPR35 modulators. GPR35 is a G-protein coupled receptor that has been implicated in various physiological processes and diseases. Modulating the activity of GPR35 can potentially lead to the development of new treatments for conditions such as cancer, inflammation, and metabolic disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 495414-32-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,9,5,4,1 and 4 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 495414-32:
(8*4)+(7*9)+(6*5)+(5*4)+(4*1)+(3*4)+(2*3)+(1*2)=169
169 % 10 = 9
So 495414-32-9 is a valid CAS Registry Number.

495414-32-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-bromo-2,2-dimethyl-3H-inden-1-one

1.2 Other means of identification

Product number -
Other names 1H-Inden-1-one,5-bromo-2,3-dihydro-2,2-dimethyl

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:495414-32-9 SDS

495414-32-9Relevant academic research and scientific papers

FERROPTOSIS INHIBITORS–DIARYLAMINE PARA-ACETAMIDES

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Paragraph 01590-01591, (2021/09/11)

Provided are compounds that inhibit ferroptosis activity, or modulate or inhibit a disease associated with ferroptosis dysregulation, such as neuropathy, ischemia reperfusion injury, acute kidney failure and cancer, including corresponding sulfonamides, and pharmaceutically acceptable salts, hydrates and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.

GPR35 MODULATORS

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Paragraph 0076, (2020/08/13)

Described herein are GPR35 modulators and methods of using these compounds in the treatment of diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

Silylative Kinetic Resolution of Racemic 2,2-Dialkyl 5- and 6-Membered Cyclic Benzylic Alcohol Derivatives Catalyzed by Chiral Guanidine, (R)-N-Methylbenzoguanidine

Yoshimatsu, Shuhei,Nakata, Kenya

supporting information, p. 4679 - 4684 (2019/09/16)

Efficient silylative kinetic resolution of racemic 2,2-dialkyl 5- and 6-membered cyclic benzylic alcohols was achieved using diphenylmethylchlorosilane (Ph2MeSiCl) or phenyldimethylchlorosilane (PhMe2SiCl) as a silyl source catalyzed by chiral guanidine. The reaction could be applied to a broad range of 2,2-dialkyl 1-indanols with good s-values, irrespective of the electronic nature of the substituent on the aromatic ring of the substrates and the type of substituent at the C2-position. In addition, several 2,2-dimethyl 6-membered cyclic and heterocyclic alcohols could be adopted in the reaction. (Figure presented.).

NRF2 REGULATORS

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Page/Page column 573; 574, (2015/07/07)

The present invention relates to bis aryl analogs, pharmaceutical compositions containing them and their use as Nrf2 regulators.

CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS

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Page/Page column 124, (2014/10/03)

Compounds of formula I are provided, which are JAK inhibitors and are useful for the treatment of JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer.

GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS

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Page/Page column 102; 103, (2014/10/03)

The instant invention provides compounds of Formula (I) which are JAK inhibitors, and as such are useful for the treatment of JAK-mediated diseases such as rheumatoid arthritis, asthma, COPD and cancer.

Bicyclic Derivatives as P38 Inhibitors

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Page/Page column 14, (2010/09/07)

New bicyclic derivatives of formula (I); wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

Synthesis and structural and photoswitchable properties of novel chiral host molecules: Axis chiral 2,2′-dihydroxy-1,1′-binaphthyl-appended stiff-stilbene

Shimasaki, Toshiaki,Kato, Shin-Ichiro,Ideta, Keiko,Goto, Kenta,Shinmyozu, Teruo

, p. 1073 - 1087 (2007/10/03)

(Chemical Equation Presented) Novel photoswitchable chiral hosts having an axis chiral 2,2′-dihydroxy-1,1′-binaphthyl (BINOL)-appended stiff-stilbene, trans-(R,R)- and -(S,S)-1, were synthesized by palladium-catalyzed Suzuki-Miyaura coupling and low-valence titanium-catalyzed McMurry coupling as key steps, and they were fully characterized by various NMR spectral techniques. The enantiomers of trans-1 showed almost complete mirror images in the CD spectra, where two split Cotton effects (exciton coupling) were observed in the β-transitions of the naphthyl chromophore at 222 and 235 nm, but no Cotton effect was observed in the stiff-stilbene chromophore at 365 nm. The structures of (R)-10 and trans-(R,R)-1 were confirmed by X-ray structural analysis. The optimized structure of cis-1 by MO calculations has a wide chiral cavity of 7-8 A in diameter, whereas trans-1 cannot form an intramolecular cavity based on the X-ray data. Irradiation of (R,R)-trans-1 with black light (λ = 365 nm) in CH3CN or benzene at 23°C led to the conversion to the corresponding cis-isomer, as was monitored by 1H NMR, UV - vis, and CD spectra. At the photostationary state, the cis-1/ trans-1 ratio was 86/14 in benzene or 75/25 in CH3CN. On the other hand, irradiation of the cis-1/trans-1 (75/25) mixture in CH3CN with an ultra-high-pressure Hg lamp at 23°C (λ = 410 nm) led to the photostationary state, where the cis-1/trans-1 ratio was estimated to be 9/91 on the basis of the 1H NMR spectra. The cis-trans and trans-cis interconversions could be repeated 10 times without decomposition of the C=C double bond. Thus, a new type of photoswitchable molecule has been developed, and trans-1 and cis-1 were quite durable under irradiation conditions. The guest binding properties of the BINOL moieties of trans- and cis-(R,R)-1 with F -, Cl-, and H2PO4- were examined by 1H NMR titration in CDCl3. Similar interaction with F- and Cl- was observed in trans-1 (host/guest = 1/1, Kassoc = (1.0 ± 0.13) × 103 for F - and (4.6 ± 0.72) × 102 M-1 for Cl-) and cis-1 (host/guest = 1/1, Kassoc = (1.0 ± 0.13) × 103 for F- and (5.9 ± 0.69) × 10 M-1 for Cl-), but H2PO4 - interacted differently: the cis-isomer formed the 1/1 complex (Kassoc = (9.38 ± 2.67) × 10 M-1), whereas multistep equilibrium was expected for the trans-isomer.

BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS

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Page/Page column 39-40, (2008/06/13)

New bicyclic derivatives of formula (I), wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS

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Page/Page column 31-32, (2010/11/25)

New bicyclic derivatives of formula (I); wherein the meanings for the various substituents are as disclosed in the description. These compounds are useful as p38 kinase inhibitors.

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