52094-97-0

Basic information

• Product Name: (2-CHLORO-PHENOXY)-ACETIC ACID ETHYL ESTER
• Synonyms: (2-CHLORO-PHENOXY)-ACETIC ACID ETHYL ESTER;AKOS B006645;ART-CHEM-BB B006645
• CAS NO: 52094-97-0
• Molecular Formula: C₁₀H₁₁ClO₃
• Molecular Weight: 214.65
• Mol File: 52094-97-0.mol
• Article Data: 31

Chemical Properties

• Boiling Point: 281.3°Cat760mmHg
• Flash Point: 113.6°C
• Appearance: /
• Density: 1.203g/cm³
• Vapor Pressure: 0.00358mmHg at 25°C
• Refractive Index: 1.511
• CAS DataBase Reference: (2-CHLORO-PHENOXY)-ACETIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (2-CHLORO-PHENOXY)-ACETIC ACID ETHYL ESTER(52094-97-0)
• EPA Substance Registry System: (2-CHLORO-PHENOXY)-ACETIC ACID ETHYL ESTER(52094-97-0)

Safety Data

• Hazardous Substances Data: 52094-97-0(Hazardous Substances Data)

Usage

General Description

(2-Chloro-phenoxy)-acetic acid ethyl ester is a chemical compound that is a ester derivative of 2-chlorophenoxyacetic acid. It is commonly used as a herbicide and plant growth regulator. This chemical is known for its ability to control the growth of broadleaf weeds in various crops. It is commonly applied to agricultural fields to enhance crop yield by minimizing competition from unwanted weeds. However, it is important to handle this compound with care as it can be harmful if ingested or inhaled, and it may cause irritation to the skin and eyes. Additionally, it is necessary to follow proper usage guidelines and safety precautions when working with (2-chloro-phenoxy)-acetic acid ethyl ester.

InChI:InChI=1/C10H11ClO3/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3

Upstream product

• 95-57-8 2-monochlorophenol 
• 105-36-2 ethyl bromoacetate 
• 105-39-5 chloroacetic acid ethyl ester 
• 614-61-9 (2-chlorophenoxy)acetic acid 
• 64-17-5 ethanol 

Downstream Products

• 4547-67-5 ethyl (4-chlorosulfonyl-2-chloro-phenoxy)-acetate 
• 685138-99-2 methyl {4-[3,3-bis-(4-bromo-phenyl)-allylsulfanyl]-2-chloro-phenoxy}-acetate 
• 685139-10-0 {4-[3,3-bis-(4-bromo-phenyl)-allylsulfanyl]-2-chloro-phenoxy}-acetic acid 
• 56077-58-8 (2-chloro-4-mercapto-phenoxy)-acetic acid 
• 56077-49-7 methyl (2-chloro-4-mercapto-phenoxy)-acetate 
• 103415-67-4 4-[3-chloro-4-(ethoxycarbonylmethoxy)phenyl]-4-oxobutyric acid 
• 1159405-62-5 N-[3-{(1H-benzo[d]imidazol-2-ylthio)methyl}-5-mercapto-4H-1,2,4-triazol-4-yl]-2-(2-chlorophenoxy)acetamide 
• 1548588-87-9 6-[(2-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one 
• 1373332-04-7 3,4-dihydro-3-oxo-4-(4-trifluoromethoxyphenyl)-2H-1,4-benzoxazine 
• 1134193-43-3 3,4-dihydro-4-(4-methoxyphenyl)-3-oxo-2H-1,4-benzoxazine 
• 1496529-21-5 4-(4-cyanophenyl)-3,4-dihydro-3-oxo-2H-1,4-benzoxazine 
• 1134193-47-7 3,4-dihydro-3-oxo-4-(4-trifluoromethylphenyl)-2H-1,4-benzoxazine 
• 1134193-46-6 3,4-dihydro-4-(4-ethoxycarbonylphenyl)-3-oxo-2H-1,4-benzoxazine 
• 1373245-74-9 3,4-dihydro-4-(3,5-dimethylphenyl)-3-oxo-2H-1,4-benzoxazine 

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

Design, synthesis and molecular modelling of phenoxyacetohydrazide derivatives as Staphylococcus aureus MurD inhibitors

In the present work we synthesized a new series of phenoxyacetohydrazide functional compounds 4a-k and characterized by spectral data. Synthesized compounds were screened in vitro for their antibacterial activity. Compounds 4a, 4j and 4k exhibited inhibitory activity against S. aureus NCIM 5022 with MIC value of 64?μg/ml These compounds also exhibited activity against methicillin resistant S. aureus ATCC 43300 with MIC of 128?μg/ml. Among all the tested compounds 4c and 4j showed highest activity, respectively against B. subtilis NCIM 2545 and K. pneumoniae NCIM 2706. Only one compound i.e. 4d showed activity against another Gram-negative bacteria P. aeruginosa NCIM 2036 with MIC value of 64?μg/ml. Among three tested compounds, 4k exhibited highest inhibitory activity against S. aureus MurD enzyme with IC50 value of 35.80?μM. Further binding interactions of 4a-k with the modelled S. aureus MurD catalytic pocket residues is investigated with the extra-precision molecular docking and binding free energy calculation by MM-GBSA approach. The van der Waals energy term was observed to be the driving force for binding. Further, 50?ns molecular dynamics simulations were performed to validate the stabilities of 4j- and 4k-modelled S. aureus MurD. Graphic abstract: [Figure not available: see fulltext.]

Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HT6

This research has provided the most active 5-HT6R agents among 1,3,5-triazine derivatives investigated to date and has also identified the world's first selenium-containing 5-HT6R ligands. The studies are focused on design, synthesis, biological evaluation and docking-supported SAR analysis for novel 5-HT6R agents as derivatives of lead structure 4-(4-methylpiperazin-1-yl)-6-(phenoxymethyl)-1,3,5-triazin-2-amine (7). The lead modifications included an introduction of: (i) various small substituents at benzene ring, (ii) a branched ether linker or (iii) the ether oxygen replacement with other chalcogen (S, Se) or sulfonyl moiety. Hence, a series of new compounds (7–24) was synthesized and examined on their affinities for 5-HT6R and selectivity, in respect to the 5-HT1AR, 5-HT2AR, 5-HT7R and dopamine D2 receptor, in the radioligand binding assays. For representative most active compounds functional bioassays and toxicity profile in vitro and antidepressant-like activity in vivo were examined. The 2-isopropyl-5-methylphenyl derivative (10) was found as the most active triazine 5-HT6R antagonist (Ki = 11 nM). SAR analysis indicated, that an exchange of oxygen to selenium (7 vs. 22), and especially, to sulfur (7 vs. 19) was beneficial to increase both affinity and antagonistic action for 5-HT6R. Surprisingly, an introduction of SO2 caused a drastic decrease of the 5-HT6R affinity, which was explained at a molecular level based on docking studies. All in vivo tested compounds (10, 18 and 21) did not show any risk of toxicity in the safety studies in vitro.