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5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE, also known as p-methylbenzoylacetic acid or R-30695, is a chemical compound with the molecular formula C14H16O2. It is a yellow crystalline solid that is characterized by a cyclohexane ring with a 1,3-dione functional group and a p-methylphenyl substituent. This structure endows it with versatile properties, making it an important chemical in the field of organic chemistry and a key component in the synthesis of various pharmaceuticals and organic compounds.

61888-37-7

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61888-37-7 Usage

Uses

Used in Pharmaceutical Industry:
5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE is used as an intermediate in the synthesis of various pharmaceuticals for its potential anti-inflammatory and analgesic properties. It is valued for its ability to contribute to the development of medications that can alleviate pain and reduce inflammation.
Used in Organic Chemistry Research:
In the field of organic chemistry, 5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE is used as a key building block for the synthesis of complex organic compounds. Its unique structure allows for various chemical reactions, making it a valuable tool in the creation of new molecules with potential applications in different industries.
Used in Disease Treatment Research:
5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE has been implicated in the treatment of various diseases due to its potential therapeutic properties. It is studied for its role in developing treatments that could address a range of health conditions, highlighting its importance in medical research.
While the specific applications and industries may vary, the common thread in the uses of 5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE is its role as a versatile chemical intermediate with potential applications in pharmaceutical development, organic synthesis, and disease treatment research.

Check Digit Verification of cas no

The CAS Registry Mumber 61888-37-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,8,8 and 8 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 61888-37:
(7*6)+(6*1)+(5*8)+(4*8)+(3*8)+(2*3)+(1*7)=157
157 % 10 = 7
So 61888-37-7 is a valid CAS Registry Number.
InChI:InChI=1/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3

61888-37-7SDS

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 5-(4-METHYLPHENYL)CYCLOHEXANE-1,3-DIONE

1.2 Other means of identification

Product number -
Other names 5-p-tolyl-cyclohexane-1,3-dione

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:61888-37-7 SDS

61888-37-7Relevant articles and documents

Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein

Chen, Kaixian,Chen, Zhifeng,Dang, Yongjun,Ding, Hong,Fan, Shijie,Hu, Junchi,Jiang, Hualiang,Li, Lianchun,Li, Quanfu,Lin, Tingting,Lu, Junyan,Luo, Cheng,Otomo, Chinatsu,Otomo, Takanori,Tan, Minjia,Tao, Hongru,Wan, Wei,Wen, Yi,Xie, Yuli,Xu, Pan,Yao, Zhiyi,Yue, Liyan,Zhang, Bidong,Zhang, Naixia,Zhang, Yuanyuan,Zhou, Bing,Zhu, Mingrui

supporting information, p. 26105 - 26114 (2021/11/09)

The autophagic ubiquitin-like protein LC3 functions through interactions with LC3-interaction regions (LIRs) of other autophagy proteins, including autophagy receptors, which stands out as a promising protein–protein interaction (PPI) target for the intervention of autophagy. Post-translational modifications like acetylation of Lys49 on the LIR-interacting surface could disrupt the interaction, offering an opportunity to design covalent small molecules interfering with the interface. Through screening covalent compounds, we discovered a small molecule modulator of LC3A/B that covalently modifies LC3A/B protein at Lys49. Activity-based protein profiling (ABPP) based evaluations reveal that a derivative molecule DC-LC3in-D5 exhibits a potent covalent reactivity and selectivity to LC3A/B in HeLa cells. DC-LC3in-D5 compromises LC3B lipidation in vitro and in HeLa cells, leading to deficiency in the formation of autophagic structures and autophagic substrate degradation. DC-LC3in-D5 could serve as a powerful tool for autophagy research as well as for therapeutic interventions.

Construction of Multiple-Substituted Chiral Cyclohexanes through Hydrogenative Desymmetrization of 2,2,5-Trisubstituted 1,3-Cyclohexanediones

Yu, Chang-Bin,Song, Bo,Chen, Mu-Wang,Shen, Hong-Qiang,Zhou, Yong-Gui

supporting information, p. 9401 - 9404 (2019/11/28)

The construction of chiral multiple-substituted cyclohexanes motifs is a challenging topic in organic synthesis. By the combination of desymmetrization and remote stereocontrol, a ruthenium-catalyzed transfer hydrogenative desymmetrization of 2,2,5-trisubstituted 1,3-cyclohexanediones has been successfully developed for the construction of chiral multiple-substituted cyclohexanes with high enantioselectivity and diastereoselectivity. When an ester group was introduced to the two-position, a hydrogenative desymmetrization/transesterification cascade occurred, affording the bicyclic lactones bearing three stereocenters, including two discrete stereocenters and one quaternary stereogenic center, with high enantioselectivity. The products are the multiple-substituted chiral cyclohexanes bearing the hydroxyl and carbonyl functional groups, which provide a new opportunity for further precise elaboration.

Dehydrogenative Formation of Resorcinol Derivatives Using Pd/C-Ethylene Catalytic System

El-Deeb, Ibrahim Yussif,Funakoshi, Tatsuya,Shimomoto, Yuya,Matsubara, Ryosuke,Hayashi, Masahiko

, p. 2630 - 2640 (2017/03/14)

The conversion of substituted 1,3-cyclohexanediones to the alkyl ethers of resorcinol using a Pd/C-ethylene system is reported. In these reactions, ethylene works as a hydrogen acceptor. The efficient synthesis of resveratrol was achieved using this protocol as a key step. In addition, the direct formation of substituted resorcinols was carried out by adding K2CO3 into the reaction media.

INHIBITORS OF CYSTATHIONINE BETA SYNTHASE TO REDUCE THE NEUROTOXIC OVERPRODUCTION OF ENDOGENOUS HYDROGEN SULFIDE

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Page/Page column 64-65, (2013/05/23)

The invention is directed to inhibitors of cystathionine beta synthase which, among other biochemical effects, allow reduction of the neurotoxic overproduction of endogenous hydrogen sulphide. These compounds and pharmaceutical compositions containing them are useful for the prevention and treatment of cognitive disorders such as cognitive disorders in Down syndrome. The invention also relates to methods for preventing or treating cognitive disorders including cognitive disorders in Down Syndrome.

Tandem reactions leading to benzo[c]chromen-6-ones and 3-substituted isocoumarins

Fan, Xuesen,He, Yan,Cui, Liangyan,Guo, Shenghai,Wang, Jianji,Zhang, Xinying

supporting information; experimental part, p. 673 - 677 (2012/03/10)

A simple and convenient protocol for the synthesis of benzo[c]chromen-6- ones and 3-substituted isocoumarins through a CuI-catalyzed tandem reaction of 2-bromobenzoates withcyclohexane-1,3-diones or acyclic 1,3-diones is developed. This strategy can also be extended to the one-pot synthesis of isoquinolin-1(2H)-one and 3,4-dihydrophenanthridine-1,6(2H,5H)-dione. A simple and convenient protocol for the synthesis of benzo[c]chromen-6-ones and 3-substituted isocoumarins through a CuI-catalyzed tandem reaction of 2-bromobenzoates with cyclohexane-1,3-dione or acyclic 1,3-dione has been developed. This strategy can also be extended to the one-pot synthesis of isoquionlin-1(2H)-one and 3,4-dihydrophenanthridine-1,6-(2H,5H)-dione. Copyright

QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS

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Page/Page column 11, (2011/06/10)

Compounds of general formula (I); or a stereoisomers, tautomers, pharmaceutically acceptable salts, or prodrugs thereof, wherein R1, R2, R3, R4, R5, R6, R8 and R9 are as defined herein, are useful for the treatment of diseases and conditions which are mediated by excessive or inappropriate Hsp90 activity such as cancers, viral infection and inflammatory diseases or conditions.

SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE

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Page/Page column 64-65, (2010/11/27)

Compounds are provided that are modulators of the C5a receptor. The compounds are substituted dihydropyridines and are useful in pharmaceutical compositions, methods for the treatment of diseases and disorders involving the pathologic activtation of C5a receptors.

Synthesis and Antimalarial Properties of 1-Imino Derivatives of 7-Chloro-3-substituted-3,4-dihydro-1,9(2H,10H)-acridinediones and Related Structures

Kesten, Stephen J.,Degnan, Margaret J.,Hung, Jocelyn,McNamara, Dennis J.,Ortwine, Daniel F.,et al.

, p. 3429 - 3447 (2007/10/02)

To improve upon the activity and properties of the 3-aryl-7-chloro-3,4-dihydro-1,9(2H,10H)-acridinediones, a variety of 1-imino derivatives (3) were prepared and shown to be highly active antimalarial agents in both rodents and primates.Among structural modifications prepared, including N10-alkyl and C2-substituted analogs, removal of the C9 oxygen, and introduction of an imino side chain at C9, the imines of the N10-H acridinediones were the most active compounds obtained.The imino derivative of7-chloro-3-(2,4-dichlorophenyl)-3,4-dihydro-1,9(2H,10H)-acridinedione (9aa) proved to be highly active in advanced studies in primates.

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