Methyl 2-(4-chlorophenoxy)acetate

Base Information

• Chemical Name: Methyl 2-(4-chlorophenoxy)acetate
• CAS No.: 4841-22-9
• Molecular Formula: C9H9 Cl O3
• Molecular Weight: 200.622
• NSC Number: 65093
• UNII: WP8NSQ7VCC
• DSSTox Substance ID: DTXSID20197522
• Nikkaji Number: J40.695C
• Wikidata: Q83070363
• Mol file: 4841-22-9.mol

Synonyms:methyl 2-(4-chlorophenoxy)acetate;4841-22-9;methyl (4-chlorophenoxy)acetate;P-CHLOROPHENOXYACETIC ACID METHYL ESTER;WP8NSQ7VCC;NSC-65093;CCRIS 3489;NSC 65093;methyl p-chlorophenoxyacetate;UNII-WP8NSQ7VCC;NCIOpen2_003008;methyl 4-chlorophenoxyacetate;Methyl 4-Chlorophenoxy Acetate;Methyl (p-chlorophenoxy)acetate;SCHEMBL5120243;DTXSID20197522;OSGZHKYFZSNKRI-UHFFFAOYSA-N;NSC65093;4-CHLORO METHYLPHENOXYACETATE;MFCD00063317;AKOS000295665;DS-12074;CS-0161624;C75289;4-CHLOROPHENOXYACETIC ACID, METHYL,ESTER;Acetic acid, 2-(4-chlorophenoxy)-, methyl ester

Chemical Property of Methyl 2-(4-chlorophenoxy)acetate

Chemical Property:

• Vapor Pressure: 0.00838mmHg at 25°C
• Boiling Point: 267°Cat760mmHg
• Flash Point: 111.1°C
• PSA: 35.53000
• Density: 1.239g/cm³
• LogP: 1.89180
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99%min ^*data from raw suppliers

Methyl2-(4-chlorophenoxy)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)COC1=CC=C(C=C1)Cl

Technology Process of Methyl 2-(4-chlorophenoxy)acetate

There total 7 articles about Methyl 2-(4-chlorophenoxy)acetate 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: 96.5%

bromoacetic acid methyl ester (96-32-2) + 4-chloro-phenol (106-48-9,82344-39-6) → (4-chloro-phenoxy)-acetic acid methyl ester (4841-22-9)

Guidance literature:

4-chloro-phenol; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.0333333h;

bromoacetic acid methyl ester; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

Reference yield: 96.0%

methyl chloroacetate (96-34-4) + 4-chloro-phenol (106-48-9,82344-39-6) → (4-chloro-phenoxy)-acetic acid methyl ester (4841-22-9)

Guidance literature:

With polyethylene glycol-600; potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; for 0.0666667h; microwave irradiation;

DOI:10.1081/SCC-200063928

Reference yield: 90.0%

methanol (67-56-1) + 4-Chlorophenoxyacetic acid (122-88-3) → (4-chloro-phenoxy)-acetic acid methyl ester (4841-22-9)

Guidance literature:

With sulfuric acid; for 2h; microwave irradiation;

DOI:10.1081/SCC-120027275

upstream raw materials:

methanol

4-Chlorophenoxyacetic acid

meclofenoxate

methyl chloroacetate

Downstream raw materials:

sodium 2-(4-chlorophenoxy)acetate

6-chloro-2H-1,4-benzoxazin-3(4H)-one

Refernces

• 1、 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.
• 2、 -. "Preparation method of phenoxycarboxylate herbicide". . . Retrieved 2019/01/08.