15880-03-2

Basic information

• Product Name: 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID
• Synonyms: Propionicacid, 3-(2,4-dimethylbenzoyl)- (6CI,8CI);3-(2,4-Dimethylbenzoyl)propionicacid;4-(2,4-Dimethylphenyl)-4-oxobutanoic acid;NSC 163163
• CAS NO: 15880-03-2
• Molecular Formula: C₁₂H₁₄O₃
• Molecular Weight: 206.2436
• Mol File: 15880-03-2.mol
• Article Data: 16

Chemical Properties

• Melting Point: 110～113℃
• Boiling Point: 389.6 °C at 760 mmHg
• Flash Point: 203.6 °C
• Appearance: /
• Density: 1.138 g/cm³
• Vapor Pressure: 9.1E-07mmHg at 25°C
• Refractive Index: 1.539
• PKA: 4.58±0.17(Predicted)
• CAS DataBase Reference: 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID(15880-03-2)
• EPA Substance Registry System: 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID(15880-03-2)

Safety Data

• Hazardous Substances Data: 15880-03-2(Hazardous Substances Data)

Usage

Description

3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID is a chemical compound with the molecular formula C13H16O3, belonging to the class of benzoylpropionic acid derivatives. It is recognized for its non-steroidal anti-inflammatory drug (NSAID) properties, characterized by its analgesic and anti-inflammatory capabilities. 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID operates by inhibiting the synthesis of prostaglandins, which are key mediators of pain and inflammation.

Uses

Used in Pharmaceutical Industry:
3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID is utilized as an active pharmaceutical ingredient for the development of medications aimed at reducing pain and inflammation. Its application is primarily due to its ability to inhibit prostaglandin production, thereby alleviating symptoms associated with various inflammatory conditions.
Used in Treatment of Arthritis:
In the context of arthritis treatment, 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID is used as an analgesic and anti-inflammatory agent to manage the pain and swelling associated with the condition. Its effectiveness in this regard stems from its capacity to curb the production of prostaglandins, which are integral to the inflammatory process in arthritis.
Used in Alleviation of Menstrual Cramps:
3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID is employed as a therapeutic agent for the relief of menstrual cramps. Its use is justified by its analgesic and anti-inflammatory properties, which help to mitigate the discomfort and pain experienced during menstruation.
Used for Mild to Moderate Pain Management:
This chemical compound is also used as an analgesic for the management of mild to moderate pain. Its application in this context is due to its ability to reduce the sensation of pain by inhibiting the prostaglandins that are responsible for pain transmission.
It is crucial to administer 3-(2,4-DIMETHYLBENZOYL)PROPIONIC ACID under the guidance of a healthcare professional to ensure safe usage and to monitor for potential side effects or interactions with other medications.

InChI:InChI=1/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)

Upstream product

• 108-30-5 succinic acid anhydride 
• 108-38-3 m-xylene 
• 543-20-4 succinoyl dichloride 

Downstream Products

• 107151-32-6 4-(2,4-dimethyl-phenyl)-4-oxo-butyric acid methyl ester 
• 854676-03-2 3-bromo-4-(2,4-dimethylphenyl)-4-oxobutanoic acid 
• 13621-26-6 4-(2,4-dimethyl-phenyl)-butyric acid 
• 611-01-8 2,4-dimethyl-benzoic acid 
• 89724-87-8 5-(2,4-Dimethyl-phenyl)-3H-furan-2-one 
• 511311-01-6 3-[1-(2,6-Dichloro-phenyl)-meth-(E)-ylidene]-5-(2,4-dimethyl-phenyl)-3H-furan-2-one 
• 511311-02-7 5-(2,4-Dimethyl-phenyl)-3-[1-(3-nitro-phenyl)-meth-(E)-ylidene]-3H-furan-2-one 
• 511311-00-5 5-(2,4-Dimethyl-phenyl)-3-[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-3H-furan-2-one 
• 51116-71-3 1,2,3,4-tetrahydro-1,1,5,7-tetramethylnaphthalene 
• 22184-02-7 α,α,2,4-tetramethylbenzenebutanol 
• 51116-70-2 2,4-dimethylbenzenebutanoic acid methyl ester 
• 13621-25-5 5,7-dimethyltetralone 
• 150074-87-6 1-(2,4-dimethylphenyl)-1,4-butanediol 
• 1160652-11-8 2-[3-(2,4-dimethylphenyl)-propan-3-on-1-yl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole 

Relevant articles and documents

An efficient one-pot synthesis of pyridazinones and phthalazinones using HY-zeolite

Figure represented. The first one-pot synthesis of pyridazinones and phthalazinones from arenes, cyclic anhydrides, and ArNHNH2 in the presence of efficient recyclable heterogeneous catalyst, HY-zeolite, in high yield and short reaction time is reported.

Synthesis, anti-convulsant activity and molecular docking study of novel thiazole pyridazinone hybrid analogues

Pyridazinone analogues have been known to be potential candidates for anticonvulsant agents. We have identified several pyridazinone-based anticonvulsant agents. As a continuation to our previous research, a series of hybrid pyridazinone-thiazole connected through amide linkage were designed and synthesized. Among these, compound SP-5F demonstrated significant anticonvulsant activity with median effective dose of 24.38 mg/kg (MES) and 88.23 mg/kg (scPTz). Results of GABA estimation showed a marked increase in the GABA level when compared with control. Molecular docking studies at the active site of GABA receptor, further confirmed the GABA modulatory effects of SP-5F.

Design, Synthesis, and Pharmacological Screening of Pyridazinone Hybrids as Anticonvulsant Agents

A series of new hybrid benzimidazole containing pyridazinones derivatives were designed and synthesized in accordance with the pharmacophoric requirements essential for the anticonvulsant activity. The synthesized compounds were evaluated for anticonvulsant activity on mice by the gold standard maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ)-induced seizure models. Among the compounds tested, SS-4F showed significant anticonvulsant activity in both the screens with ED50 values of 25.10 and 85.33 mg/kg in the MES and scPTZ screens, respectively. Compound SS-4F emerged as safer and effective anticonvulsant due to its several-fold higher protective indices. Further, the gamma-aminobutyric acid (GABA) estimation result showed a marked increase in the GABA level (1.7-fold) as compared to the control, which was further confirmed by good binding properties with the GABAA receptor.