129833-31-4

Basic information

• Product Name: 2-Iodo-3,4-dimethylbenzoic acid
• Synonyms: 2-Iodo-3,4-dimethylbenzoic acid;3,4-Dimethyl-2-iodobenzoic acid
• CAS NO: 129833-31-4
• Molecular Formula: C₉H₉IO₂
• Molecular Weight: 276.068
• Mol File: 129833-31-4.mol

Chemical Properties

• Melting Point: 137-138℃
• Boiling Point: 350.2 °C at 760 mmHg
• Flash Point: 165.6 °C
• Appearance: /
• Density: 1.763
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• CAS DataBase Reference: 2-Iodo-3,4-dimethylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Iodo-3,4-dimethylbenzoic acid(129833-31-4)
• EPA Substance Registry System: 2-Iodo-3,4-dimethylbenzoic acid(129833-31-4)

Safety Data

• Hazardous Substances Data: 129833-31-4(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2-Iodo-3,4-dimethylbenzoic acid is utilized as a building block in organic synthesis for constructing more complex molecules. Its unique structure allows for versatile chemical reactions, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-Iodo-3,4-dimethylbenzoic acid is employed as a key intermediate in the development of new drugs. Its potential as an anti-inflammatory and anti-cancer agent has been studied, with ongoing research aimed at harnessing its therapeutic properties for the treatment of various diseases.
Used in Material Science:
2-Iodo-3,4-dimethylbenzoic acid may have applications in material science, where its unique chemical and physical properties can be leveraged to develop new materials with specific characteristics. This could include the creation of advanced polymers, coatings, or other materials with tailored properties for various applications.
Used as a Reagent in Chemical Reactions:
In the field of chemistry, 2-Iodo-3,4-dimethylbenzoic acid serves as a reagent in various chemical reactions. Its ability to participate in a range of reactions, such as substitution, addition, or elimination, makes it a useful tool for chemists in their pursuit of new compounds and processes.

Upstream product

• 50419-58-4 2-amino-3,4-dimethylbenzoic acid 
• 20205-43-0 6,7-dimethylisatin 
• 87-59-2 2,3-Dimethylaniline 
• 6579-44-8 2,3-dimethyl-α-isonitrosoacetanilide 
• 619-04-5 3,4-dimethylbenzoic acid 

Downstream Products

• 6236-97-1 3,4-dimethyl-9-acridone 
• 117570-53-3 vadimezan 
• 117570-93-1 2-<2-(carboxymethyl)phenoxy>-3,4-dimethylbenzoic acid 

Relevant articles and documents

CRYSTALLINE FORMS OF DMXAA SODIUM SALT

The present invention relates to pharmaceutically stable crystalline forms of (5, 6-Dimethyl-9- oxo-9H-xanthene-4-yl) acetic acid (DMXAA) sodium salt,- processes for preparing those stable crystalline forms; pharmaceutical compositions comprising at least one of those crystalline forms in solid form or in dissolved form and a pharmaceutically acceptable carrier. Disclosed are methods of using those pharmaceutical compositions to treat tumours, optionally in combination with other active pharmaceutical agents.

An improved synthesis of 5,6-dimethylxanthenone-4-acetic acid (DMXAA)

5,6-Dimethylxanthenone-4-acetic acid (DMXAA) is a novel anticancer agent with a number of unique activities, and is in clinical trial. The current synthesis of DMXAA involves six steps, beginning with a heterogeneous reaction to form an isonitrosoacetanilide, and gives an overall yield of 11% from 2,3-dimethylaniline. We report an alternative synthesis of the key intermediate 3,4-dimethylanthranilic acid via nitration of 3,4-dimethylbenzoic acid and separation of the key desired isomer by ready crystallisation. This, together with improvements in the rest of the synthesis, provide a shorter and higher-yielding route to DMXAA (22% overall from 3,4-dimethylbenzoic acid).

Potential Antitumor Agents. 61. Structure-Activity Relationships for in Vivo Colon 38 Activity among Disubstituted 9-Oxo-9H-xanthene-4-acetic Acids

Analogues of 9-oxo-9H-xanthene-4-acetic acid (XAA) bearing small, lipophilic 5-substituents are among the most dose-potent compounds yet reported with the capability of causing hemorrhagic necrosis of implanted colon 38 tumors in mice.To further extend structure-activity relationships among this class of compound, a series of XAA derivatives bearing two small lipophilic groups at various positions have been prepared and evaluated.The 5,6-disubstituted compounds in particular show consistently high levels of both dose potency and activity, suggesting this is the optimal configuration among substituted 9-oxo-9H-xanthene-4-acetic acids.The 5,6-dimethyl and 5-methyl-6-methoxy are the most effective analogues, showing in vivo colon 38 activity comparable to that of FAA at 10-15-fold lower doses and superior activity to FAA at the respective optimal doses, and the former has been selected for detailed evaluation.