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2-[(4-methylphenoxy)methyl]benzoic acid is a complex organic compound with the molecular formula C15H14O3. It is characterized by a benzoic acid core, which is a derivative of benzene with a carboxyl group (-COOH) attached. The compound features a 4-methylphenoxy group attached to the benzene ring through a methylene bridge (-CH2-). This 4-methylphenoxy group consists of a phenol (a benzene ring with a hydroxyl group) that has a methyl group (-CH3) attached to the para position. The compound's structure endows it with specific chemical properties, making it potentially useful in various applications, such as pharmaceuticals or materials science, where its ability to form hydrogen bonds and its lipophilic nature may be exploited.

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728-97-2 Usage

Appearance

White or off-white solid At room temperature, the compound appears as a white or off-white solid.

Solubility

Soluble in organic solvents The compound dissolves easily in organic solvents, making it suitable for use in various chemical reactions.

Uses

Synthesis of pharmaceutical and agrochemical products Due to its potential as a building block for more complex molecules, 2-[(4-methylphenoxy)methyl]benzoic acid is commonly used in the synthesis of pharmaceutical and agrochemical products.

Research chemical

Used in scientific studies The compound is also used as a research chemical in various scientific studies, allowing researchers to explore its properties and potential applications.

Properties

Similar to other carboxylic acids As a benzoic acid derivative, 2-[(4-methylphenoxy)methyl]benzoic acid exhibits properties similar to other carboxylic acids, such as the ability to form salts and esters.

Structure

Benzene ring with a methylphenyl group and a carboxylic acid group The molecular structure of 2-[(4-methylphenoxy)methyl]benzoic acid contains a benzene ring with a methylphenyl group attached to one carbon atom and a carboxylic acid group attached to another carbon atom. This unique structure makes it a versatile molecule for various synthetic applications.

Check Digit Verification of cas no

The CAS Registry Mumber 728-97-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,2 and 8 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 728-97:
(5*7)+(4*2)+(3*8)+(2*9)+(1*7)=92
92 % 10 = 2
So 728-97-2 is a valid CAS Registry Number.

728-97-2Relevant academic research and scientific papers

Synthesis, characterization, and biologic activity of new acyl hydrazides and 1,3,4-oxadiazole derivatives

Bleotu, Coralia,Diaconu, Carmen Cristina,Hanganu, Anamaria,Ionita, Petre,Limban, Carmen,Matei, Lilia,Nemes, Roxana Maria,Nicolau, Ioana,Nuta, Diana Camelia,P?un, Anca,Radulescu, Cristiana,Tatibou?t, Arnaud,Zarafu, Irina

, (2020/08/28)

Starting from isoniazid and carboxylic acids as precursors, thirteen new hydrazides and 1,3,4-oxadiazoles of 2-(4-substituted-phenoxymethyl)-benzoic acids were synthesized and characterized by appropriate means. Their biological properties were evaluated in terms of apoptosis, cell cycle blocking, and drug metabolism gene expression on HCT-8 and HT-29 cell lines. In vitro antimicrobial tests were performed by the microplate Alamar Blue assay for the anti-mycobacterial activities and an adapted agar disk diffusion technique for other non-tubercular bacterial strains. The best antibacterial activity (anti-Mycobacterium tuberculosis effects) was proved by 9. Compounds 7, 8, and 9 determined blocking of G1 phase. Compound 7 proved to be toxic, inducing apoptosis in 54percent of cells after 72 h, an effect that can be predicted by the increased expression of mRNA caspases 3 and 7 after 24 h. The influence of compounds on gene expression of enzymes implicated in drug metabolism indicates that synthesized compounds could be metabolized via other pathways than NAT2, spanning adverse effects of isoniazid. Compound 9 had the best antibacterial activity, being used as a disinfectant agent. Compounds 7, 8, and 9, seemed to have antitumor potential. Further studies on the action mechanism of these compounds on the cell cycle may bring new information regarding their biological activity.

Synthesis and evaluation of biological and nonlinear optical properties of some novel 2,4-disubstituted [1,3]-thiazoles carrying 2-(aryloxymethyl)-phenyl moiety

Naveena, Channamata Shankar,Poojary, Boja,Arulmoli, Thangavelu,Manjunatha, Kumshi,Prabhu, Ashwatanarayana,Kumari, Nalilu Sucheta

, p. 1925 - 1937 (2013/07/26)

A series of 2,4-disubstituted-[1,3]-thiazoles (4a-p and 6a-l) was synthesized from 2-(aryloxymethyl)benzoic acids (1a-d) through a multistep reaction sequence in good yield. The structures of the new compounds were established on the basis of their elemen

Synthesis and biological evaluation of some [1,2,4]triazolo[3,4-b][1,3,4] thiadiazoles and [1,2,4]triazolo[3,4-b][1,3,4]thiadiazines

Naveenaa, Channamata Shankara,Poojary, Boja,Chandrashekhar, Chikkanna,Kumari, Nalilu Suchetha

experimental part, p. 189 - 200 (2012/02/14)

The reaction of 2-(aryloxymethyl)benzoic acid hydrazide with carbon disulfide in the presence of potassium hydroxide followed by hydrazine hydrate afforded 4-amino-3{2-(aryloxymethyl)pheny}[1,2,4]triazole-5-thiol (5a-d). The cyclo-condensation of 5a-d with various aromatic carboxylic acids in the presence of phosphorous oxychloride and with phenacyl bromides afforded two series of fused heterocycles namely; 6-substituted-3-{2-(aryloxymethyl)phenyl}- 1,2,4- triazolo[3,4-b][1,3,4]thiadizoles (6a-t) and 6-substituted-3-{2- (aryloxymethyl)phenyl)}[1,2,4]triazolo[3,4-b][1,3,4] thiadiazines (7a-p) respectively. The structures of these newly synthesized compounds were established on the basis of their IR, 1H-NMR 13C-NMR and Mass spectral data. All the title compounds were screened for their antimicrobial and antiinflammatory activities. Preliminary results indicated that some of them exhibit promising activities and they deserve more consideration as potential antimicrobial and anti-inflammatory agents.

Synthesis, spectroscopic properties and antipathogenic activity of new thiourea derivatives

Limban, Carmen,Marutescu, Luminita,Chifiriuc, Mariana Carmen

scheme or table, p. 7593 - 7607 (2011/11/06)

A number of acylthioureas, 2-((4-methylphenoxy)methyl)-N- (arylcarbamothioyl) benzamides (aryl = 3,5-dichlorophenyl, 2,3-dichlorophenyl, 3,4-dichlorophenyl, 2,4,5-trichlorophenyl, 3,4,5-trichlorophenyl, 2-bromophenyl, 2,4-dibromophenyl, 2,5-dibromophenyl,

Synthesis, characterization and antimicrobial activity of some disubstituted 1,3,4-oxadiazoles carrying 2-(aryloxymethyl)phenyl moiety

Naveena, Channamata Shankara,Boja, Poojary,Kumari, Nalilu Sucheta

experimental part, p. 4708 - 4719 (2010/11/16)

Disubstituted 1,3,4-oxadaiazoles (4a-z, 4a′-f′), Mannich bases (6a-p) and S-alkylated derivatives (7a-t) have been synthesized from 2-(aryloxymethyl)benzoic acids (1a-d) through a multi-step reaction sequence. The structures of new compounds were established on the basis of their elemental analyses, IR, 1H NMR, 13C NMR and mass spectral data. All the synthesized compounds were screened for their in vitro antibacterial and antifungal activity and some of them exhibited good activity.

New thioureides of 2-(4-methyl-phenoxymethyl)-benzoic and 2-(4-methoxy-phenoxymethyl)-benzoic acids with biological activity

Limban, Carmen,Missir, Alexandru-Vasile,Chirita, Ileana Cornelia,Badiceanu, Carmellina Daniela,Draghici, Constantin,Balotescu, Mariana Carmen,Stamatoiu, Oana

experimental part, p. 595 - 602 (2010/02/16)

The present application is a continuation of our research concerning the synthesis and characterization of thioureides of 2-(4-methyl-phenoxymethyl)- benzoic acid and 2-(4-methoxy-phenoxymethyl)-benzoic acid with biological activities. The new compounds,

Amide derivatives and nociceptin antagonists

-

, (2008/06/13)

The present invention relates to a compound of the formula [1′] wherein R2is lower alkyl optionally substituted by hydroxy, amino and the like, ring B is phenyl, thienyl and the like, E is a single bond, —O—, —S— and the like, ring G is aryl, heterocyclic group and the like, R5is halogen atom, hydroxy, lower alkyl optionally substituted by halogen atom etc., and the like, t is 0 or an integer of 1 to 5, when t is an integer of 2 to 5, each R5may be the same or different, m is 0 or an integer of 1 to 8, and n is 0 or an integer of 1 to 4, and a nociceptin antagonist containing compound [1′] as an active ingredient. The compound [1′] shows, due to nociceptin antagonistic action, analgesic effect against sharp pain such as postoperative pain and the like. The present invention also relates to the use of certain amide derivative inclusive of compound [1′] as a nociceptin antagonist or analgesic.

4-Aminoquinolines: Novel nociceptin antagonists with analgesic activity

Shinkai,Ito,Iida,Kitao,Yamada,Uchida

, p. 4667 - 4677 (2007/10/03)

Small-molecule nociceptin antagonists were synthesized to examine their therapeutic potential. After a 4-aminoquinoline derivative was found to bind with the human ORL1 receptor, a series of 4-aminoquinolines and related compounds were synthesized and their binding was evaluated. Elucidation of structure - Activity relationships eventually led to the optimum compounds. One of these compounds, N-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide hydrochloride (11) not only antagonized nociceptin-induced allodynia in mice but also showed analgesic effect in a hot plate test using mice and in a formalin test using rats. Its analgesic effect was not antagonized by the opioid antagonist naloxone. These results indicate that this nociceptin antagonist has the potential to become a novel type of analgesic that differs from μ-opioid agonists.

Antipsychotically useful quinolizidylidene derivatives of xanthenes, thioxanthenes and dibenzoxepins

-

, (2008/06/13)

Tricyclic quinolizidine derivatives administered internally to an animal host, in therapeutically effective amounts, produce antipsychotic activity essentially free of extrapyramidal symptoms.

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