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4-Methylphenylacetic acid, also known as p-Tolylacetic acid, is a white fine crystalline powder with distinct chemical properties. It is an organic compound that has found various applications across different industries due to its unique characteristics.

622-47-9

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622-47-9 Usage

Uses

Used in Pharmaceutical Industry:
4-Methylphenylacetic acid is used as a reagent for the preparation of quaternary amines, which are essential in the synthesis of various pharmaceutical compounds. Its role in the production of these amines makes it a valuable component in the development of new drugs and medications.
Used in Medical Applications:
In the medical field, 4-Methylphenylacetic acid is utilized for epithelial sodium channel inhibition in bronchial epithelium. This application is particularly relevant for the treatment of respiratory conditions, such as asthma and chronic obstructive pulmonary disease (COPD), where the inhibition of these channels can help reduce inflammation and improve lung function.
These applications highlight the versatility of 4-Methylphenylacetic acid in different industries, showcasing its importance in both pharmaceutical development and medical treatments.

Synthesis Reference(s)

The Journal of Organic Chemistry, 48, p. 1919, 1983 DOI: 10.1021/jo00159a031Tetrahedron Letters, 28, p. 2633, 1987 DOI: 10.1016/S0040-4039(00)96167-7

Purification Methods

Crystallise the acid from heptane or water. [Beilstein 9 IV 1795.]

Check Digit Verification of cas no

The CAS Registry Mumber 622-47-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 2 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 622-47:
(5*6)+(4*2)+(3*2)+(2*4)+(1*7)=59
59 % 10 = 9
So 622-47-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1

622-47-9 Well-known Company Product Price

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  • Alfa Aesar

  • (A15129)  p-Tolylacetic acid, 99%   

  • 622-47-9

  • 5g

  • 227.0CNY

  • Detail
  • Alfa Aesar

  • (A15129)  p-Tolylacetic acid, 99%   

  • 622-47-9

  • 25g

  • 513.0CNY

  • Detail
  • Alfa Aesar

  • (A15129)  p-Tolylacetic acid, 99%   

  • 622-47-9

  • 100g

  • 1668.0CNY

  • Detail

622-47-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Methylphenylacetic acid

1.2 Other means of identification

Product number -
Other names Benzeneacetic acid, 4-methyl-

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:622-47-9 SDS

622-47-9Relevant academic research and scientific papers

A mild and efficient carboxylate-directed C-H arylation of aryl carboxylic acids with iodobenzenes in water

Xu, Zhongmiao,Yang, Ting,Lin, Xichen,Elliott, John D.,Ren, Feng

, p. 475 - 477 (2015)

An efficient and environmental friendly Pd-catalyzed carboxylate-directed C-H arylation reaction of aryl carboxylic acids with iodobenzenes has been developed in water where Tween 20 was added (2% w/w) to form aqueous micelles to increase the solubility of starting materials. In this aqueous protocol, the reactions proceeded at a lower temperature (80 °C) compared with the traditional procedures using organic solvents (100 °C and above) and wide substrate scopes were demonstrated (15 examples, 62-92% yields).

Visible-Light-Enabled Carboxylation of Benzyl Alcohol Derivatives with CO2 Using a Palladium/Iridium Dual Catalyst

Iwasawa, Nobuharu,Jin, Yushu,Toriumi, Naoyuki

, (2021/12/14)

A highly efficient carboxylation of benzyl alcohol derivatives with CO2 using a palladium/iridium dual catalyst under visible-light irradiation was developed. A wide range of benzyl alcohol derivatives could be employed to provide benzylic carboxylic acids in moderate to high yields. Mechanistic studies indicated that the oxidative addition of benzyl alcohol derivatives was possibly the rate-determining-step. It was also found that a switchable site-selective carboxylation between benzylic C?O and aryl C?Cl moieties could be achieved simply by changing the palladium catalyst.

The thiol-based reduction of Bi(V) and Sb(V) anti-leishmanial complexes

Duffin, Rebekah N.,Stephens, Liam J.,Blair, Victoria L.,Kedzierski, Lukasz,Andrews, Philip C.

, (2021/05/10)

Low molecular weight thiols including trypanothione and glutathione play an important function in the cellular growth, maintenance and reduction of oxidative stress in Leishmania species. In particular, parasite specific trypanothione has been established as a prime target for new anti-leishmania drugs. Previous studies into the interaction of the front-line Sb(V) based anti-leishmanial drug meglumine antimoniate with glutathione, have demonstrated that a reduction pathway may be responsible for its effective and selective nature. The new suite of organometallic complexes, of general formula [MAr3(O2CR)2] (M = Sb or Bi) have been shown to have potential as new selective drug candidates. However, their behaviour towards the critical thiols glutathione and trypanothione is still largely unknown. Using NMR spectroscopy and mass spectrometry we have examined the interaction of the analogous Sb(V) and Bi(V) organometallic complexes, [SbPh3(O2CCH2(C6H4CH3))2] S1 and [BiPh3(O2CCH2(C6H4CH3))2] B1, with the trifluoroacetate (TFA) salt of trypanothione and L-glutathione. In the presence of trypanothione or glutathione at the clinically relevant pH of 4–5 for Leishmania amastigotes, both complexes undergo facile and rapid reduction, with no discernible difference. However, at a higher pH (6–7), the complexes behave quite differently towards glutathione. The Bi(V) complex is again reduced rapidly but the Sb(V) complex undergoes slow reduction over 8 h (t1/2 = 54 min.) These results give the first insights into why the highly oxidising Bi(V) complexes display low selectivity in their cytotoxicity towards leishmanial and mammalian cells, while the Sb(V) complexes show good selectivity.

Aerobic epoxidation of styrene over Zr-based metal-organic framework encapsulated transition metal substituted phosphomolybdic acid

Hu, Dianwen,Song, Xiaojing,Zhang, Hao,Chang, Xinyu,Zhao, Chen,Jia, Mingjun

, (2021/04/19)

Catalytic epoxidation of styrene with molecular oxygen is regarded as an eco-friendly alternative to producing industrially important chemical of styrene oxide (STO). Recent efforts have been focused on developing highly active and stable heterogeneous catalysts with high STO selectivity for the aerobic epoxidation of styrene. Herein, a series of transition metal monosubstituted heteropolyacid compounds (TM-HPAs), such as Fe, Co, Ni or Cu-monosubstituted HPA, were encapsulated in UiO-66 frameworks (denoted as TM-HPA@UiO-66) by direct solvothermal method, and their catalytic properties were investigated for the aerobic epoxidation of styrene with aldehydes as co-reductants. Among them, Co-HPA@UiO-66 showed relatively high catalytic activity, stability and epoxidation selectivity at very mild conditions (313 K, ambient pressure), that can achieve 82 % selectivity to STO under a styrene conversion of 96 % with air as oxidant and pivalaldehyde (PIA) as co-reductant. In addition, the hybrid composite catalyst can also efficiently catalyze the aerobic epoxidation of a variety of styrene derivatives. The monosubstituted Co atoms in Co-HPA@UiO-66 are the main active sites for the aerobic epoxidation of styrene with O2/PIA, which can efficiently converting styrene to the corresponding epoxide through the activation of the in-situ generated acylperoxy radical intermediate.

Relative activity of metal cathodes towards electroorganic coupling of CO2 with benzylic halides

Engelhardt, Helen,Klinkova, Anna,Medvedev, Jury J.,Medvedeva, Xenia V.

, (2021/05/26)

Electrochemical reduction of benzylic halides represents a convenient route to generating carbanions for their subsequent coupling with CO2 to obtain various carboxylic acids. Despite the industrial prospects of this synthetic process, it still lacks systematic studies of the efficient catalysts and reaction media design. In this work, we performed a detailed analysis of the catalytic activity of a series of different metal electrodes towards electroreduction of benzylic halides to corresponding radicals and carbanions using cyclic voltammetry. Specifically, we screened and summarized the performance of 12 bulk metal cathodes (Ag, Au, Cu, Pd, Pt, Ni, Ti, Zn, Fe, Al, Sn, and Pb) and 3 carbon-based materials (glassy carbon, carbon cloth, and carbon paper) towards electrocarboxylation of eight different benzylic halides and compare it to direct CO2 reduction in acetonitrile. Extensive experimental studies along with a detailed analysis of the results allowed us to map specific electrochemical properties of different metal electrodes, i.e., the potential zones related to the one- and two-electron reduction of organic halides as well as the potential windows where the electrochemical activation of CO2 does not occur. The reported systematic analysis should facilitate the development of nanostructured electrodes based on group 10 and 11 transition metals to further optimize the efficiency of electrocarboxylation of halides bearing specific substituents and make this technology competitive to current synthetic methods for the synthesis of carboxylic acids.

Desulfonylative Electrocarboxylation with Carbon Dioxide

Zhong, Jun-Song,Yang, Zi-Xin,Ding, Cheng-Lin,Huang, Ya-Feng,Zhao, Yi,Yan, Hong,Ye, Ke-Yin

supporting information, p. 16162 - 16170 (2021/09/02)

Electrocarboxylation of organic halides is one of the most investigated electrochemical approaches for converting thermodynamically inert carbon dioxide (CO2) into value-added carboxylic acids. By converting organic halides into their sulfone derivatives, we have developed a highly efficient electrochemical desulfonylative carboxylation protocol. Such a strategy takes advantage of CO2as the abundant C1 building block for the facile preparation of multifunctionalized carboxylic acids, including the nonsteroidal anti-inflammatory drug ibuprofen, under mild reaction conditions.

Pd(OH)2/C, a Practical and Efficient Catalyst for the Carboxylation of Benzylic Bromides with Carbon Monoxide

Wakuluk-Machado, Anne-Marie,Dewez, Damien F.,Baguia, Hajar,Imbratta, Miguel,Echeverria, Pierre-Georges,Evano, Gwilherm

, p. 713 - 723 (2020/02/04)

A simple, efficient, cheap, and broadly applicable system for the carboxylation of benzylic bromides with carbon monoxide and water is reported. Upon simple reaction with only 2.5 wt % of Pearlman's catalyst and 10 mol % of tetrabutylammonium bromide in tetrahydrofuran at 110 °C for 4 h, a range of benzylic bromides can be smoothly converted to the corresponding arylacetic acids in good to excellent yields after simple extraction and acid-base wash. The reaction was found to be broadly applicable, scalable, and could be successfully extended to the use of ex situ-generated carbon monoxide and applied to the synthesis of the nonsteroidal anti-inflammatory drug diclofenac.

Oxidation of Alkynyl Boronates to Carboxylic Acids, Esters, and Amides

Li, Chenchen,Li, Ruoling,Zhang, Bing,Zhao, Pei,Zhao, Wanxiang

supporting information, p. 10913 - 10917 (2020/05/25)

A general efficient protocol was developed for the synthesis of carboxylic acids, esters, and amides through oxidation of alkynyl boronates, generated directly from terminal alkynes. This protocol represents the first example of C(sp)?B bond oxidation. This approach displays a broad substrate scope, including aryl and alkyl alkynes, and exhibits excellent functional group tolerance. Water, primary and secondary alcohols, and amines are suitable nucleophiles for this transformation. Notably, amino acids and peptides can be used as nucleophiles, providing an efficient method for the synthesis and modification of peptides. The practicability of this methodology was further highlighted by the preparation of pharmaceutical molecules.

BF3·OEt2-promoted tandem Meinwald rearrangement and nucleophilic substitution of oxiranecarbonitriles

Xu, Chuangchuang,Xu, Jiaxi

, p. 127 - 134 (2019/12/26)

Tandem Meinwald rearrangement and nucleophilic substitution of oxiranenitriles was realized. Arylacetic acid derivatives were readily synthesized from 3-aryloxirane-2-carbonitriles with amines, alcohols, or water in the presence of boron trifluoride under microwave irradiation, and the designed synthetic strategy includes introducing a cyano leaving group into arylepoxides and capturing the in situ generated toxic cyanide with boron trifluoride, making the reaction efficient, safe, and environmentally benign. The reaction occurs through an acid-promoted Meinwald rearrangement, producing arylacetyl cyanides, followed by an addition-elimination process with nitrogen or oxygen-containing nucleophilic amines, alcohols or water. The current method provides a new application of the tandem Meinwald rearrangement.

Exploration of New Biomass-Derived Solvents: Application to Carboxylation Reactions

Gevorgyan, Ashot,Hopmann, Kathrin H.,Bayer, Annette

, p. 2080 - 2088 (2020/02/20)

A range of hitherto unexplored biomass-derived chemicals have been evaluated as new sustainable solvents for a large variety of CO2-based carboxylation reactions. Known biomass-derived solvents (biosolvents) are also included in the study and the results are compared with commonly used solvents for the reactions. Biosolvents can be efficiently applied in a variety of carboxylation reactions, such as Cu-catalyzed carboxylation of organoboranes and organoboronates, metal-catalyzed hydrocarboxylation, borocarboxylation, and other related reactions. For many of these reactions, the use of biosolvents provides comparable or better yields than the commonly used solvents. The best biosolvents identified are the so far unexplored candidates isosorbide dimethyl ether, acetaldehyde diethyl acetal, rose oxide, and eucalyptol, alongside the known biosolvent 2-methyltetrahydrofuran. This strategy was used for the synthesis of the commercial drugs Fenoprofen and Flurbiprofen.

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