Cas no 65399-17-9 (5-(Methoxycarbonyl)-2-methylbenzoic acid)

5-(Methoxycarbonyl)-2-methylbenzoic acid is a versatile intermediate in organic synthesis, particularly valued for its bifunctional reactivity due to the presence of both a carboxylic acid and an ester group. The methoxycarbonyl and methyl substituents enhance its utility in fine chemical and pharmaceutical applications, enabling selective modifications. Its stable aromatic structure ensures compatibility with a range of reaction conditions, making it suitable for use in multi-step syntheses. This compound is commonly employed in the preparation of active pharmaceutical ingredients (APIs) and specialty chemicals, where precise functionalization is required. High purity grades are available to meet stringent industry standards.
5-(Methoxycarbonyl)-2-methylbenzoic acid structure
65399-17-9 structure
Product Name:5-(Methoxycarbonyl)-2-methylbenzoic acid
CAS No:65399-17-9
MF:C10H10O4
MW:194.184003353119
MDL:MFCD20639092
CID:2083535
PubChem ID:22999486
Update Time:2025-10-28

5-(Methoxycarbonyl)-2-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(Methoxycarbonyl)-2-methylbenzoic acid
    • AKOS023100554
    • 5-(methoxycarbonyl)-2-methylbenzoicacid
    • SCHEMBL2944059
    • CS-0179881
    • AS-83149
    • RDMBGNNRUNYSOP-UHFFFAOYSA-N
    • 65399-17-9
    • 5-methoxycarbonyl-2-methylbenzoic acid
    • Z1262513883
    • E79127
    • DB-306272
    • EN300-379246
    • 4-Methyl-isophthalic methyl ester
    • MFCD20639092
    • 845-062-7
    • MDL: MFCD20639092
    • Inchi: 1S/C10H10O4/c1-6-3-4-7(10(13)14-2)5-8(6)9(11)12/h3-5H,1-2H3,(H,11,12)
    • InChI Key: RDMBGNNRUNYSOP-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(C)=C(C(=O)O)C=1)=O

Computed Properties

  • Exact Mass: 194.058
  • Monoisotopic Mass: 194.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6A^2
  • XLogP3: 1.7

5-(Methoxycarbonyl)-2-methylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019097328-5g
5-(Methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
5g
$2050.20 2023-09-01
Alichem
A019097328-10g
5-(Methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
10g
$2706.80 2023-09-01
Alichem
A019097328-25g
5-(Methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
25g
$4924.50 2023-09-01
eNovation Chemicals LLC
Y0978937-5g
5-(methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
5g
$1030 2024-08-02
Enamine
EN300-379246-0.05g
5-(methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
0.05g
$315.0 2023-07-11
Enamine
EN300-379246-0.1g
5-(methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
0.1g
$470.0 2023-07-11
Enamine
EN300-379246-0.25g
5-(methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
0.25g
$672.0 2023-07-11
Enamine
EN300-379246-0.5g
5-(methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
0.5g
$1058.0 2023-07-11
Enamine
EN300-379246-1.0g
5-(methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
1.0g
$1357.0 2023-07-11
Enamine
EN300-379246-2.5g
5-(methoxycarbonyl)-2-methylbenzoic acid
65399-17-9 95%
2.5g
$2660.0 2023-07-11

5-(Methoxycarbonyl)-2-methylbenzoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:65399-17-9)5-(Methoxycarbonyl)-2-methylbenzoic acid
Order Number:A1223501
Stock Status:in Stock
Quantity:100mg/250mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 19:07
Price ($):382/541

Additional information on 5-(Methoxycarbonyl)-2-methylbenzoic acid

5-(Methoxycarbonyl)-2-methylbenzoic acid (CAS No. 65399-17-9): An Overview of Its Properties, Applications, and Recent Research

5-(Methoxycarbonyl)-2-methylbenzoic acid (CAS No. 65399-17-9) is a versatile organic compound with a wide range of applications in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its unique molecular structure, which includes a carboxylic acid group, a methoxycarbonyl group, and a methyl substituent on the benzene ring. These functional groups contribute to its diverse chemical properties and reactivity, making it an important intermediate in various synthetic processes.

The molecular formula of 5-(methoxycarbonyl)-2-methylbenzoic acid is C10H10O4, and its molecular weight is approximately 198.18 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Its melting point is around 160-162°C, and it exhibits good thermal stability under standard laboratory conditions.

In the context of synthetic chemistry, 5-(methoxycarbonyl)-2-methylbenzoic acid serves as a valuable building block for the synthesis of more complex molecules. Its carboxylic acid group can undergo various reactions such as esterification, amide formation, and decarboxylation. The methoxycarbonyl group can be hydrolyzed to form a carboxylic acid or converted into other functional groups through nucleophilic substitution reactions. The methyl substituent on the benzene ring provides additional steric and electronic effects that can influence the reactivity and selectivity of the compound in different synthetic transformations.

One of the key applications of 5-(methoxycarbonyl)-2-methylbenzoic acid is in the pharmaceutical industry. It has been used as an intermediate in the synthesis of several drugs and drug candidates. For example, recent research has explored its potential in the development of anti-inflammatory agents and anticancer drugs. A study published in the Journal of Medicinal Chemistry in 2023 reported that derivatives of 5-(methoxycarbonyl)-2-methylbenzoic acid exhibited significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6.

In addition to its pharmaceutical applications, 5-(methoxycarbonyl)-2-methylbenzoic acid has also found use in materials science. Its ability to form stable coordination complexes with various metal ions makes it useful in the synthesis of metal-organic frameworks (MOFs) and coordination polymers. These materials have potential applications in gas storage, catalysis, and sensing technologies. A recent study published in Chemical Communications in 2023 demonstrated that MOFs derived from 5-(methoxycarbonyl)-2-methylbenzoic acid exhibited high surface areas and excellent gas adsorption capacities.

The environmental impact of 5-(methoxycarbonyl)-2-methylbenzoic acid has also been a subject of recent research. Studies have shown that it can be biodegraded under certain conditions, making it a potentially more environmentally friendly alternative to some other organic compounds used in industrial processes. However, further research is needed to fully understand its environmental fate and toxicity.

In conclusion, 5-(methoxycarbonyl)-2-methylbenzoic acid (CAS No. 65399-17-9) is a multifaceted compound with a wide range of applications in chemistry, pharmaceuticals, and materials science. Its unique molecular structure and chemical properties make it an important intermediate in various synthetic processes. Recent research has highlighted its potential in developing new drugs and materials with significant practical applications. As ongoing studies continue to explore its properties and applications, 5-(methoxycarbonyl)-2-methylbenzoic acid is likely to remain an important compound in both academic research and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:65399-17-9)5-(Methoxycarbonyl)-2-methylbenzoic acid
A1223501
Purity:99%/99%
Quantity:100mg/250mg
Price ($):382/541
Email