6331-61-9

Basic information

• Product Name: (4-ALLYL-2-METHOXYPHENOXY)ACETIC ACID
• Synonyms: (4-allyl-2-methoxyphenoxy)acetic acid(SALTDATA: FREE)
• CAS NO: 6331-61-9
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• Mol File: 6331-61-9.mol
• Article Data: 10

Chemical Properties

• Melting Point: 99.0 to 103.0 °C
• Boiling Point: 350.7°C at 760 mmHg
• Flash Point: 132.3°C
• Appearance: /
• Density: 1.151g/cm³
• Vapor Pressure: 1.61E-05mmHg at 25°C
• Refractive Index: 1.531
• Solubility: soluble in Methanol
• PKA: 3.24±0.10(Predicted)
• CAS DataBase Reference: (4-ALLYL-2-METHOXYPHENOXY)ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-ALLYL-2-METHOXYPHENOXY)ACETIC ACID(6331-61-9)
• EPA Substance Registry System: (4-ALLYL-2-METHOXYPHENOXY)ACETIC ACID(6331-61-9)

Safety Data

• RTECS: AI8967340
• Hazardous Substances Data: 6331-61-9(Hazardous Substances Data)

Usage

General Description

(4-Allyl-2-methoxyphenoxy)acetic acid is a chemical compound that belongs to the class of organic compounds known as phenol ethers. It is a synthetic compound that is commonly used as a herbicide. This chemical is an herbicide active ingredient that belongs to the chemical class of aryloxyalkanoic acids, which are used to control annual and perennial broadleaf weeds in various crops. It works by inhibiting the growth of weeds by interfering with their hormone systems, ultimately leading to their death. However, it is important to note that this compound should be used with caution and handled according to safety guidelines due to its potential environmental and health hazards.

InChI:InChI=1/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3,5-7H,1,4,8H2,2H3,(H,13,14)

Upstream product

• 212775-06-9 ethyl 2-methoxy-4-(2-propenyl)phenoxyacetate 
• 97-53-0 4-allylguaiacol 
• 79-08-3 bromoacetic acid 
• 79-11-8 chloroacetic acid 

Downstream Products

• 15178-15-1 (4-allyl-2-methoxy-phenoxy)-acetic acid p-phenetidide 
• 93799-44-1 (4-Allyl-2-methoxy-phenoxy)-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester 
• 93799-59-8 (4-Allyl-2-methoxy-phenoxy)-acetic acid pentachlorophenyl ester 
• 1252016-80-0 C₁₁H₁₁N₃O₁₁ 
• 97-53-0 4-allylguaiacol 
• 15178-37-7 (4-Allyl-2-methoxy-phenoxy)-acetic acid [1-phenyl-eth-(Z)-ylidene]-hydrazide 
• 15178-33-3 (4-Allyl-2-methoxy-phenoxy)-acetic acid [1-(2-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide 
• 15178-35-5 (4-Allyl-2-methoxy-phenoxy)-acetic acid [1-(4-methoxy-phenyl)-meth-(Z)-ylidene]-hydrazide 
• 15178-34-4 (4-Allyl-2-methoxy-phenoxy)-acetic acid [1-(4-nitro-phenyl)-meth-(E)-ylidene]-hydrazide 
• 15216-96-3 (4-Allyl-2-methoxy-phenoxy)-acetic acid benzhydrylidene-hydrazide 
• 15178-41-3 (4-Allyl-2-methoxy-phenoxy)-acetic acid [1-naphthalen-2-yl-eth-(E)-ylidene]-hydrazide 
• 15178-38-8 (4-Allyl-2-methoxy-phenoxy)-acetic acid [(E)-1-methyl-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide 
• 15178-32-2 (4-Allyl-2-methoxy-phenoxy)-acetic acid [1-phenyl-meth-(E)-ylidene]-hydrazide 
• 15178-39-9 (4-Allyl-2-methoxy-phenoxy)-acetic acid [1-methyl-hept-(E)-ylidene]-hydrazide 

Relevant articles and documents

(Trifluoromethylselenyl)methylchalcogenyl as Emerging Fluorinated Groups: Synthesis under Photoredox Catalysis and Determination of the Lipophilicity

The synthesis of molecules bearing (trifluoromethylselenyl)methylchalcogenyl groups is described via an efficient two-step strategy based on a metal-free photoredox catalyzed decarboxylative trifluoromethylselenolation with good yields up to 88 %, which raised to 98 % in flow chemistry conditions. The flow methods allowed also to scale up the reaction. The mechanism of this key reaction was studied. The physicochemical characterization of these emerging groups was performed by determining their Hansch–Leo lipophilicity parameters with high values up to 2.24. This reaction was also extended to perfluoroalkylselenolation with yields up to 95 %. Finally, this method was successfully applied to the functionalization of relevant bioactive molecules such as tocopherol or estrone derivatives.

Microwave (MW), ultrasound (US) and combined synergic MW-US strategies for rapid functionalization of pharmaceutical use phenols

Increasingly stringent regulations aimed at protection of the natural environment have stimulated the search for new synthetic methodologies in organic and medicinal chemistry having no or minimum harmful effect. An interesting approach is the use of alternative activation factors, microwaves (MW) or ultrasounds (US) and also their cross-combination, which has been tested in the fast and efficient creation of new structures. At present, an easy and green hybrid strategy (“Lego” chemistry) is generally recommended for the design of new substances from different chemistry building blocks. Often, selected biologically active components with specific chemical reactivities are integrated by a suitably designed homo- or heterodifunctional linker that modifies the functionality of the starting structure, allowing easy covalent linkage to another molecule. In this study, a fast introduction of heterodifunctional halogenoacidic linker to selected mono-, di- and triphenolic active substances, allowing their functionalization, was investigated. Nucleophilic substitution reaction was chosen to produce final ethers with the reactive carboxylic group from phenols. The functionalization was performed using various green factors initiating and supporting the chemical reactions (MW, US, MW-US). The benefits of the three green supporting methods and different conditions of reactions were analyzed and compared with the results of the reaction performed by conventional methods.

Synthesis and hypolipidaemic evaluation of a series of α-asarone analogues related to clofibrate in mice

A series of α-asarone analogues related to clofibrate, containing an acetic acid group at C-2 of the aromatic ring, has been prepared as the acids or as the ethyl and methyl esters. The corresponding alcohols were also synthesized by reduction of the ethy