2436-73-9

Basic information

• Product Name: (4-CHLORO-2-METHYLPHENOXY)ACETIC ACID METHYL ESTER
• Synonyms: ((4-chloro-o-tolyl)oxy)-aceticacimethylester(8ci);(4-chloro-2-methylphenoxy)-aceticacimethylester;2-Methyl-4-chlorophenoxyacetic acid methyl ester;2-methyl-4-chlorophenoxyaceticacidmethylester;Acetic acid, [(4-chloro-o-tolyl)oxy]-, methyl ester;Phenoxyacetic acid, 4-chloro-2-methyl, methyl ester;4-CHLORO-O-TOLYLOXYACETIC ACID METHYL ESTER;(4-CHLORO-2-METHYLPHENOXY)ACETIC ACID METHYL ESTER
• CAS NO: 2436-73-9
• Molecular Formula: C₁₀H₁₁ClO₃
• Molecular Weight: 214.65
• EINECS: 219-430-7
• Product Categories: Method 8150/8151Pesticides&Metabolites;8000 Series Solidwaste Methods;Environmental Standards;Herbicides;MetabolitesEPA;Pesticides&Metabolites;Phenoxy structure
• Mol File: 2436-73-9.mol
• Article Data: 15

Chemical Properties

• Melting Point: 18 °C
• Boiling Point: 127 °C / 3mmHg
• Flash Point: 18 °C
• Appearance: /
• Density: 1.23
• Vapor Pressure: 0.000996mmHg at 25°C
• Refractive Index: n20/D 1.52-1.53
• Storage Temp.: 0-6°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• BRN: 1966111
• CAS DataBase Reference: (4-CHLORO-2-METHYLPHENOXY)ACETIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (4-CHLORO-2-METHYLPHENOXY)ACETIC ACID METHYL ESTER(2436-73-9)
• EPA Substance Registry System: (4-CHLORO-2-METHYLPHENOXY)ACETIC ACID METHYL ESTER(2436-73-9)

Safety Data

• Hazard Codes: Xn,N,F
• Statements: 20/21/22-67-65-62-51/53-48/20-38-11-50/53
• Safety Statements: 13-62-61-36/37-60-16
• RIDADR: UN 1208 3/PG 2
• WGK Germany: 1
• RTECS: AG2290000
• Hazardous Substances Data: 2436-73-9(Hazardous Substances Data)

Usage

Uses

MCPA methyl ester is a derivative of MCPA which is a herbicide.

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

Upstream product

• 95-48-7 ortho-cresol 
• 94-74-6 MCPA 
• 74-88-4 methyl iodide 
• 2989-17-5 methyl 2-methylphenoxy acetate 
• 67-56-1 methanol 
• 1570-64-5 2-methyl-4-chlorophenol 
• 96-34-4 methyl chloroacetate 

Downstream Products

• 32022-38-1 2-(4-chloro-2-methylphenoxy)acetic acid hydrazide 
• 1713-12-8 n-butyl 4-chloro-2-methylphenoxyacetate 
• 94-74-6 MCPA 
• 35370-89-9 2-(4-chloro-2-methyl-phenoxy)-thioacetamide 

Relevant articles and documents

Preparation method of carboxylic ester compound

The invention relates to a preparation method of a carboxylic ester compound, which comprises the following steps: reacting carboxylic acid with methanol in air under the catalysis of nitrite to obtain an ester compound, the preparation method disclosed by the invention has the advantages of rich raw material sources, cheap and easily available catalyst, mild reaction conditions, simplicity and convenience in operation and the like, a series of fatty carboxylic acids can be modified with high yield, and particularly, the traditional esterification method is generally not suitable for esterification of drug molecules. By utilizing the method, a series of known drug molecules can be modified, so that a shortcut is provided for discovering new drug molecules.

Preparation method of 2-methyl-4-chloro-phenoxyacetic acid

The invention belongs to the technical field of pesticide synthesis, and particularly relates to a 2-methyl-4-chloro-phenoxyacetic acid preparation method, which uses o-methylphenol sodium as a reactant, and uses an organic phase methyl chloroacetate solution as a reaction solvent in a condensation reaction. The method has the advantages that the method is simple; in the condensation reaction, anorganic phase methyl chloroacetate solution is used as a reaction solvent to replace a water phase in the traditional technology; and the organic phase can be continued to the subsequent chlorinationreaction, so that the problems of decomposition of sodium chloroacetate and low reaction yield can be solved, no wastewater can be generated in the production of MCPA sodium salt, the yield can be greatly improved, and the method is a green and environment-friendly synthesis method.

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.