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3-(4-methylphenyl)pentan-1,5-dioic acid is a chemical compound with the molecular formula C12H16O4. It is an organic acid derived from pentanedioic acid, featuring a 4-methylphenyl group attached to the third carbon atom. 3-(4-methylphenyl)pentan-1,5-dioic acid is characterized by its two carboxylic acid functional groups at the terminal positions (1 and 5) and a phenyl ring with a methyl group at the para position. It is a white crystalline solid and is used in the synthesis of various pharmaceuticals and chemical intermediates. The compound's properties, such as its acidity and reactivity, are influenced by the presence of the phenyl ring and the carboxylic acid groups, making it a versatile building block in organic chemistry.

59612-76-9

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59612-76-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 59612-76-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,6,1 and 2 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 59612-76:
(7*5)+(6*9)+(5*6)+(4*1)+(3*2)+(2*7)+(1*6)=149
149 % 10 = 9
So 59612-76-9 is a valid CAS Registry Number.

59612-76-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-p-tolyl-pentanedioic acid

1.2 Other means of identification

Product number -
Other names 3-p-tolyl-glutaric acid

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:59612-76-9 SDS

59612-76-9Relevant academic research and scientific papers

Hydrogen-Bonding Catalyzed Ring-Closing C?O/C?O Metathesis of Aliphatic Ethers over Ionic Liquid under Metal-Free Conditions

Wang, Huan,Zhao, Yanfei,Zhang, Fengtao,Wu, Yunyan,Li, Ruipeng,Xiang, Junfeng,Wang, Zhenpeng,Han, Buxing,Liu, Zhimin

supporting information, p. 11850 - 11855 (2020/05/16)

O-heterocycles have wide applications, and their efficient and green synthesis is very interesting. Herein, we report hydrogen-bonding catalyzed ring-closing metathesis of aliphatic ethers to O-heterocycles over ionic liquid (IL) catalyst under metal- and solvent-free conditions. The IL 1-butylsulfonate-3-methylimidazolium trifluoromethanesulfonate ([SO3H-BMIm][OTf]) is discovered to show outstanding performance, better than the reported catalysts. An interface effect plays an important role in mediating the reaction rate due to the immiscibility between the products and the IL catalyst, and the products can be spontaneously separated. NMR analysis and DFT calculation suggest that a pair of cation and anion of [SO3H-BMIm][OTf] could form three strong H-bonds with an ether molecule, which catalyze the ether transformation via a cyclic oxonium intermediate. A series of O-heterocycles including tetrahydrofurans, tetrahydropyrans, morpholines and dioxane can be obtained from their corresponding ethers in excellent yields (e.g., >99 %). This work opens an efficient and metal-free way to produce O-heterocycles from aliphatic ethers.

Synthesis and biological evaluation of pentanedioic acid derivatives as farnesyltransferase inhibitors

Yang, Liuqing,Liu, Wei,Mei, Hanbing,Zhang, Yuan,Yu, Xiaojuan,Xu, Yufang,Li, Honglin,Huang, Jin,Zhao, Zhenjiang

, p. 671 - 676 (2015/04/27)

Structure-based virtual screening of a commercial library identified pentanedioic acid derivatives (6 and 13b) as a kind of novel scaffold farnesyltransferase inhibitors (FTIs). Chemical modifications of the lead compounds, biological assays and analysis of the structure-activity relationships (SAR) were conducted to discover more potent FTIs. Some of them displayed excellent inhibition against FTase, and among them, the most active compound 13n with an IC50 value of 0.0029 μM and SAR analysis might be helpful to the discovery of more potent FTIs. This journal is

Enantioselective Desymmetrization of Glutarimides Catalyzed by Oxazaborolidines Derived from cis-1-Amino-indan-2-ol

Kutama, Ibrahim U.,Jones, Simon

, p. 11468 - 11479 (2015/12/04)

Enantioselective reductive desymmetrization of glutarimides has been achieved employing an oxazaborolidine catalyst derived from cis-1-amino-indan-2-ol. The reaction was found to proceed through a stereoablative process that upgraded the enantioselectivity of an intermediate hydroxy-lactam. The reaction was generally tolerant of a number of substituents in the 4-position, giving enantiomeric excesses of greater than 82%.

Complementary lipase-mediated desymmetrization processes of 3-Aryl-1,5-disubstituted fragments. enantiopure synthetic valuable carboxylic acid derivatives

Rios-Lombardia, Nicolas,Gotor-Fernandez, Vicente,Gotor, Vicente

, p. 811 - 819 (2011/04/23)

Desymmetrizaton enzymatic processes have been extensively studied searching for optimal methods of producing enantioenriched monoacetates from prochiral diols and diesters. AK lipase has been found as an excellent biocatalyst for the desymmetriaztion of a series of previously synthesized 3-arylpentane-1,5-diols derivatives. The access to (S)- or (R)-monoacetates in high optical purity (86-99% ee) has been possible by using acetylation or hydrolysis reactions, respectively, where the reaction parameters have been optimized in terms of source and amount of biocatalyst, temperature, solvent, and reaction time. The synthetic potential of enantiopure monoesters has been demonstrated by using these interesting chiral building blocks for the preparation of novel enantiopure carboxylic acid derivatives.

Three multicomponent reactions of 3,5-dimethyl-4-nitroisoxazole

Adamo, Mauro F.A.,Konda, Vivekananda R.,Donati, Donato,Sarti-Fantoni, Piero,Torroba, Tomas

, p. 9741 - 9745 (2008/02/12)

The title compound is used to prepare 3-arylglutaric acids, bis-isoxazoles and bis-pyrazoles from commercially available materials. The methodologies described have afforded important synthetic intermediates in high yields and without the use of chromatography.

Synthesis and binding affinities of methylvesamicol analogs for the acetylcholine transporter and sigma receptor

Shiba, Kazuhiro,Ogawa, Kazuma,Ishiwata, Kiichi,Yajima, Kazuyoshi,Mori, Hirofumi

, p. 2620 - 2626 (2007/10/03)

We synthesized methylvesamicol analogs 13-16 and investigated the binding characteristics of 2-[4-phenylpiperidino]cyclohexanol (vesamicol) and methylvesamicol analogs 13-16, with a methyl group introduced into the 4-phenylpiperidine moiety, to sigma receptors (σ-1, σ-2) and to vesicular acetylcholine transporters (VAChT) in membranes of the rat brain and liver. In competitive inhibition studies, (-)-o-methylvesamicol [(-)-OMV] (13) (Ki = 6.7 nM), as well as (-)-vesamicol (Ki = 4.4 nM), had a high affinity for VAChT. (+)-p-Methylvesamicol [(+)-PMV] (16) (Ki = 3.0 nM), as well as SA4503 (Ki = 4.4 nM), reported as a σ-1 mapping agent for positron emission tomography (PET), had a high affinity for the σ-1 receptor. The binding affinity of (+)-PMV (16) for the σ-1 receptor (Ki = 3.0 nM) was about 13 times higher than that for the sigma-2 (σ-2) receptor (Ki = 40.7 nM). (+)-PMV (16) (K i = 199 nM) had a much lower affinity for VAChT than SA4503 (K i = 50.2 nM) and haloperidol (Ki = 41.4 nM). These results showed that the binding characteristics of (-)-OMV (13) to VAChT were similar to those of (-)-vesamicol and that (+)-PMV (16) bound to the σ-1 receptor with high affinity. In conclusion, (-)-OMV (13) and (+)-PMV (16), which had a suitable structure, with a methyl group for labeling with 11C, may become not only a new VAChT ligand and a new type of σ receptor ligand, respectively, but may also become a new target compound of VAChT and the σ-1 receptor radioligand for PET, respectively.

Synthesis of 2,5-thiazole butanoic acids as potent and selective αvβ3 integrin receptor antagonists with improved oral pharmacokinetic properties

Wendt, John A.,Wu, Hongwei,Stenmark, Heather G.,Boys, Mark L.,Downs, Victoria L.,Penning, Thomas D.,Chen, Barbara B.,Wang, Yaping,Duffin, Tiffany,Finn, Mary Beth,Keene, Jeffery L.,Engleman, V. Wayne,Freeman, Sandra K.,Hanneke, Melanie L.,Shannon, Kristen E.,Nickols, Maureen A.,Steininger, Christina N.,Westlin, Marissa,Klover, Jon A.,Westlin, William,Nickols, G. Allen,Russell, Mark A.

, p. 845 - 849 (2007/10/03)

We describe a series of 2,5 thiazole containing compounds, which are potent antagonists of the integrin αvβ3 and show selectivity relative to the other integrins, such as αIIbβ 3 and αvβ6. These analogs were demonstrated to have high bioavailability relative to other relative heterocyclic analogs.

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