Methyl 4-chloro-2-methylphenoxyacetate

Base Information

• Chemical Name: Methyl 4-chloro-2-methylphenoxyacetate
• CAS No.: 2436-73-9
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.649
• Hs Code.: 2918990090
• European Community (EC) Number: 219-430-7
• UNII: CM4042HZ0O
• DSSTox Substance ID: DTXSID60179100
• Nikkaji Number: J149.325F
• Wikidata: Q27275530
• Mol file: 2436-73-9.mol

Synonyms:2436-73-9;MCPA methyl ester;methyl 2-(4-chloro-2-methylphenoxy)acetate;Methyl 4-chloro-2-methylphenoxyacetate;MCPA-methyl;MCPA-methyl [ISO];Acetic acid, (4-chloro-2-methylphenoxy)-, methyl ester;Methyl (4-chloro-2-methylphenoxy)acetate;(4-Chloro-2-methylphenoxy)acetic Acid Methyl Ester;2-Methyl-4-chlorophenoxyacetic acid methyl ester;EINECS 219-430-7;BRN 1966111;UNII-CM4042HZ0O;4-Chloro-o-tolyoxyacetic acid methyl ester;CM4042HZ0O;Acetic acid, ((4-chloro-o-tolyl)oxy)-, methyl ester;Acetic acid, [(4-chloro-o-tolyl)oxy]-, methyl ester;MCPA-methyl ester;SCHEMBL4887579;DTXSID60179100;CAA43673;MFCD00055259;AKOS002180567;methyl2-(4-chloro-2-methylphenoxy)acetate;CS-0450276;D89275;J-015471;Phenoxyacetic acid, 4-chloro-2-methyl, methyl ester;MCPA methyl ester, PESTANAL(R), analytical standard;Q27275530;ACETIC ACID, ((4-CHLORO-o-TOLYL)OXY)-, METHYL ESTER (8CI);ACETIC ACID, 2-(4-CHLORO-2-METHYLPHENOXY)-, METHYL ESTER

Chemical Property of Methyl 4-chloro-2-methylphenoxyacetate

Chemical Property:

• Vapor Pressure: 0.000996mmHg at 25°C
• Melting Point: 18 °C
• Refractive Index: n20/D 1.52-1.53
• Boiling Point: 284 °C at 760 mmHg
• Flash Point: 115.1 °C
• PSA: 35.53000
• Density: 1.204 g/cm³
• LogP: 2.20020
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

MCPA methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,F
• 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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)OC
• Uses: MCPA methyl ester is a derivative of MCPA which is a herbicide.

Technology Process of Methyl 4-chloro-2-methylphenoxyacetate

There total 6 articles about Methyl 4-chloro-2-methylphenoxyacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.63%

methyl 2-methylphenoxy acetate (2989-17-5) → methyl 2-(4-chloro-2-methylphenoxy)acetate (2436-73-9)

Guidance literature:

With sulfuryl dichloride; 2,5-dichloro-1,3-thiazole; magnesium chloride; at 70 ℃; for 0.5h;

Reference yield: 99.0%

methanol (67-56-1) + MCPA (94-74-6) → methyl 2-(4-chloro-2-methylphenoxy)acetate (2436-73-9)

Guidance literature:

With tert.-butylnitrite; at 40 ℃; for 48h;

Reference yield: 56.0%

MCPA (94-74-6) + methyl iodide (74-88-4) → methyl 2-(4-chloro-2-methylphenoxy)acetate (2436-73-9)

Guidance literature:

MCPA; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 20 ℃; for 1h;

methyl iodide; In toluene; at 20 ℃; for 48h;

DOI:10.1016/j.ejmech.2019.06.022

upstream raw materials:

2-methyl-4-chlorophenol

methyl chloroacetate

methanol

MCPA

Downstream raw materials:

2-(4-chloro-2-methylphenoxy)acetic acid hydrazide

n-butyl 4-chloro-2-methylphenoxyacetate

MCPA

Refernces

• 1、 Cheng, Xionglve,Jiang, Gangzhong,Li, Xingxing,Tao, Suyan,Wan, Xiaobing,Zhao, Yanwei,Zheng, Yonggao. "Green Esterification of Carboxylic Acids Promoted by tert-Butyl Nitrite". supporting information. p. 2713 - 2718. Retrieved 2021/06/25.
• 2、 Lei, Kang,Li, Pan,Yang, Xue-Fang,Wang, Shi-Ben,Wang, Xue-Kun,Hua, Xue-Wen,Sun, Bin,Ji, Lu-Sha,Xu, Xiao-Hua. "Design and Synthesis of Novel 4-Hydroxyl-3-(2-phenoxyacetyl)-pyran-2-one Derivatives for Use as Herbicides and Evaluation of Their Mode of Action". . p. 10489 - 10497. Retrieved 2019/10/02.