13334-49-1

Basic information

• Product Name: 2,4-DIMETHYLPHENOXYACETIC ACID
• Synonyms: LABOTEST-BB LT00847868;AKOS BBB/200;AKOS BC-2696;2,4-DIMETHYLPHENOXYACETIC ACID;2,4-xylyloxyacetic acid;2,4-Dimethylphenoxyacctic Acid;2,4-DIMETHYLPHENOXYACETIC ACID, 98+%;2-(2,4-dimethylphenoxy)ethanoic acid
• CAS NO: 13334-49-1
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.2
• EINECS: 236-385-9
• Mol File: 13334-49-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: 139-140°C
• Boiling Point: 307°Cat760mmHg
• Flash Point: 120.3°C
• Appearance: /
• Density: 1.146g/cm³
• Vapor Pressure: 0.000323mmHg at 25°C
• PKA: 3.27±0.10(Predicted)
• BRN: 2263832
• CAS DataBase Reference: 2,4-DIMETHYLPHENOXYACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-DIMETHYLPHENOXYACETIC ACID(13334-49-1)
• EPA Substance Registry System: 2,4-DIMETHYLPHENOXYACETIC ACID(13334-49-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 13334-49-1(Hazardous Substances Data)

Usage

General Description

2,4-DIMETHYLPHENOXYACETIC ACID, also known as 2,4-D, is a synthetic auxin and a common herbicide used in agricultural and residential settings to control weeds. It is a systemic herbicide, meaning it is absorbed and translocated within the plant, ultimately leading to its death. 2,4-D is effective against a wide range of broadleaf weeds and is commonly used on lawns, pastures, and agricultural crops. It works by disrupting plant growth processes, causing uncontrolled growth and ultimately leading to the death of the plant. However, 2,4-D has also been associated with various health and environmental concerns and is regulated in many countries.

InChI:InChI=1/C10H12O3/c1-7-3-4-9(8(2)5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1

Upstream product

• 176450-08-1 ethyl 2-(2,4-dimethylphenoxy)acetate 
• 105-67-9 2,4-Xylenol 
• 95450-79-6 (2,4-Dimethyl-phenoxy)-acetic acid methyl ester 
• 79-11-8 chloroacetic acid 
• 35471-28-4 sodium 2,4-dimethylphenolate 
• 105-36-2 ethyl bromoacetate 

Downstream Products

• 119869-04-4 5-(2,4-Dimethyl-phenoxymethyl)-[1,3,4]thiadiazol-2-ylamine 
• 1063737-99-4 C₁₂H₁₅NO₂ 
• 176450-08-1 ethyl 2-(2,4-dimethylphenoxy)acetate 
• 148183-90-8 2-(2,4-Dimethyl-phenoxy)-1-morpholin-4-yl-ethanone 
• 34135-75-6 2,4-dimethylphenoxyethanol 
• 72293-69-7 (2,4-dimethylphenoxy)acetic acid hydrazide 

Relevant articles and documents

Discovery, synthesis and biological characterization of a series of: N -(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1 H -pyrazol-5-yl)acetamide ethers as novel GIRK1/2 potassium channel activators

The present study describes the discovery and characterization of a series of N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-yl)acetamide ethers as G protein-gated inwardly-rectifying potassium (GIRK) channel activators. From our previous lead optimization efforts, we have identified a new ether-based scaffold and paired this with a novel sulfone-based head group to identify a potent and selective GIRK1/2 activator. In addition, we evaluated the compounds in tier 1 DMPK assays and have identified compounds that display nanomolar potency as GIRK1/2 activators with improved metabolic stability over the prototypical urea-based compounds. This journal is

Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA

Enoyl acyl carrier protein reductase (ENR) is an essential type II fatty acid synthase (FAS-II) pathway enzyme that is an attractive target for designing novel antitubercular agents. Herein, we report sixty-eight novel pyrrolyl substituted aryloxy-1,3,4-thiadiazoles synthesized by three-step optimization processes. Three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for pyrrolyl substituted aryloxy-1,3,4-thiadiazole series of InhA inhibitors using the comparative molecular field analysis (CoMFA). Docking analysis of the crystal structure of ENR performed by using Surflex-Dock in Sybyl-X 2.0 software indicates the occupation of pyrrolyl substituted aryloxy 1,3,4-thiadiazole into hydrophobic pocket of InhA enzyme. Based on docking and database alignment rules, two computational models were established to compare their statistical results. The analysis of 3D contour plots allowed us to investigate the effect of different substituent groups at different positions of the common scaffold. In vitro testing of ligands using biological assays substantiated the efficacy of ligands that were screened through in silico methods.

Synthesis of 1,1,1-trichloro-2,2-bis-(carboxymethoxyaryl)ethanes as potential antimicrobial and insecticidal agents

Some new 1,1,1-trichloro-2,2-bis-(carboxymethoxyaryl)-ethanes 2a-t have been synthesised by the treating aryloxyacetic acid (two moles) with chloral hydrate (1 mole) in the presence of catalytic amount of conc. sulphuric acid. The aryloxyacetic acid are prepared by the reaction of substituted phenols with chloroacetic acid in the presence of aq. sodium hydroxide. The antimicrobial activity of these compounds have been assayed against various Gram+ve, Gram-ve bacteria and fungi. The constitution of the products have been elucidated by IR, 1H NMR and mass spectral data and elemental analyses.