25045-36-7

Basic information

• Product Name: 2-METHOXY-5-METHYLBENZOIC ACID
• Synonyms: 2-METHOXY-5-METHYLBENZOIC ACID;2-METHOXY-5-METHYLBENXOIC ACID;Methoxymethylbenzoicacid 25---;2-Methoxy-5-Methylbenzoic acid;2-Methoxy-5-methylbenzoic acid 97%
• CAS NO: 25045-36-7
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.17
• Product Categories: C9;Carbonyl Compounds;Carboxylic Acids
• Mol File: 25045-36-7.mol
• Article Data: 8

Chemical Properties

• Melting Point: 68-72 °C(lit.)
• Boiling Point: 295.54 °C at 760 mmHg
• Flash Point: 119.213 °C
• Appearance: /
• Density: 1.168 g/cm³
• Vapor Pressure: 0.000686mmHg at 25°C
• Refractive Index: 1.54
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.16±0.10(Predicted)
• CAS DataBase Reference: 2-METHOXY-5-METHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHOXY-5-METHYLBENZOIC ACID(25045-36-7)
• EPA Substance Registry System: 2-METHOXY-5-METHYLBENZOIC ACID(25045-36-7)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22
• WGK Germany: 2
• HazardClass: IRRITANT
• Hazardous Substances Data: 25045-36-7(Hazardous Substances Data)

Usage

General Description

2-Methoxy-5-methylbenzoic Acid, also known as 5-Methoxy-o-toluic acid, is an organic compound with the molecular formula C9H10O3. It can be identified by its CAS number 2785-87-7. This slightly yellow solid substance exhibits a melting point of 110-113 °C. It is commonly utilized in the chemical industry, particularly in the synthesis of other complex organic compounds. As with most chemical substances, safety measures should be observed while handling it as it may cause irritation to the skin, eyes, and respiratory tract.

InChI:InChI=1/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)

Upstream product

• 109-72-8 n-butyllithium 
• 104-93-8 p-methylanizole 
• 124-38-9 carbon dioxide 
• 22002-45-5 2-bromo-4-methylanisole 
• 643087-31-4 2-methoxy-5-methylbenzamide 
• 25045-35-6 2-methoxy-5-methylbenzoyl chloride 
• 89-56-5 5-Methylsalicylic acid 
• 201230-82-2 carbon monoxide 
• 7295-34-3 2-methoxy-5-methylphenacyl bromide 
• 120-71-8 Cresidine 
• 133826-76-3 2-acetoxymethyl-1-methoxy-4-methyl-benzene 
• 7048-41-1 2-methoxy-5-methylbenzyl chloride 
• 613-84-3 2-hydroxy-5-methylbenzaldehyde 
• 6738-23-4 2,4-dimethylanisole 

Downstream Products

• 63113-79-1 methyl 2-methoxy-5-methylbenzoate 
• 93878-09-2 2-acetyl-4-methylphenyl 2-methoxy-5-methylbenzoate 
• 468060-78-8 2-(2-methoxy-5-methyl-phenyl)-6-methyl-chromen-4-one 
• 742087-68-9 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxy-5-methylphenyl)propane-1,3-dione 
• 1335092-91-5 N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-methoxy-5-methylbenzamide 
• 1416255-30-5 (2,5-dimethyl-1-benzofuran-3-yl)(2-methoxy-5-methylphenyl)methanone 
• 1416255-71-4 (2,5-dimethyl-1-benzofuran-3-yl)(2-hydroxy-5-methylphenyl)methanone 
• 98165-65-2 methyl 5-(bromomethyl)-2-methoxybenzoate 
• 24349-82-4 3,4-dihydro-(3R)-5-dimethyl-8-hydroxyisocoumarin 
• 7736-76-7 3,5-dimethyl-8-methoxy-3,4-dihydroisocoumarin 
• 106-44-5 p-cresol 
• 50597-88-1 2-iodo-4-methylanisole 
• 1335092-90-4 N-[3-[6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]propyl]-2-methoxy-5-methylbenzamide 
• 1249480-68-9 N-(2-aminoethyl)-2-methoxy-5-methylbenzamide 

Relevant articles and documents

Oxidation of anisoles to p-benzoquinone monoketals catalyzed by a ruthenium complex of 1,4,7-trimethyl-1,4,7-triazacyclononane with tert-butyl hydroperoxide

A protocol based on [RuIII(Me3tacn)(CF 3CO2)2(H2O)]CF3CO 2 (1, Me3tacn = 1,4,7-trimethyl-1,4,7-triazacyclononane) as catalyst and tert-butyl hydroperoxide (TBHP) as oxidant was developed for oxidation of anisoles to p-benzoquinone monoketals. This reaction can be formally considered as regioselective aromatic C-H oxidation. With 2-methoxyanisole as substrate, 3,4-dimethoxy-4-tert-butoxy-2,5-cyclohexadienone can be obtained in up to 82% yield based on 84% substrate conversion.

Design, synthesis, and preliminary biological evaluation of 3′,4′,5′-trimethoxy flavonoid salicylate derivatives as potential anti-tumor agents

According to the pharmacophore combination principle, a set of new 3′,4′,5′-trimethoxy flavonoid salicylate derivatives were designed, synthesized, and evaluated for biological activity. The cytotoxicity evaluation revealed that compound 10v exhibited higher potency than 5-Fu against HCT-116 cells. Preliminary biological activity studies showed that compound 10v could inhibit the colony formation and migration of HCT-116 cells. Besides, the Hoechst 33258 staining assay and flow cytometry revealed that treatment with compound 10v induced the apoptosis of HCT-116 cells in a concentration-dependent manner, while it had no effect on their cell cycle. The WB analysis suggested that HIF-1α, tubulin, HK-2, and PFK might be the potential pharmacophore targets of compound 10v. Tubulin was a potential drug target for compound 10v, which was explained by analyzing the crystal structure of compound 10v complexed with tubulin. These results indicated that compound 10v might be a promising anti-tumor agent candidate, deserving further optimization and evaluation.

The enantioselective Birch-Cope sequence for the synthesis of carbocyclic quaternary stereocenters. Application to the synthesis of (+)-mesembrine

A synthetic technique for generating carbocyclic quaternary stereocenters with exceptionally high levels of enantioselectivity is described. A sequence of three reactions, enantioselective Birch reduction-allylation, enol ether hydrolysis, and Cope rearrangement, is used to stereoselectively generate chiral quaternary centers on a 2-cyclohexen-1-one ring. The products of the sequence are 4,4-disubstituted-2-carboxamide-2-cyclohexen-1-one structures which are versatile intermediates in complex natural product synthesis. An application of the sequence to the synthesis of (+)-mesembrine illustrates the utility of these intermediates.