Methyl phenoxyacetate

Base Information

• Chemical Name: Methyl phenoxyacetate
• CAS No.: 2065-23-8
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29189900
• European Community (EC) Number: 218-176-4
• NSC Number: 32414
• UNII: JD9OF3328O
• DSSTox Substance ID: DTXSID2062161
• Nikkaji Number: J80.384G
• Wikidata: Q27281453
• Mol file: 2065-23-8.mol

Synonyms:methyl 2-phenoxyacetate;METHYL PHENOXYACETATE;2065-23-8;Phenoxyacetic acid methyl ester;Acetic acid, phenoxy-, methyl ester;METHYLPHENOXYACETATE;Acetic acid, 2-phenoxy-, methyl ester;UNII-JD9OF3328O;JD9OF3328O;EINECS 218-176-4;MFCD00010227;NSC 32414;NSC-32414;AI3-04318;phenoxyacetic acid methyl;Methyl phenoxy acetate;Methyl phenoxyacetate, 99%;SCHEMBL544051;DTXSID2062161;phenoxy-acetic acid methyl ester;NSC32414;AKOS008904038;CS-W016060;DS-6675;SY037886;FT-0628788;P0110;D70332;EN300-250786;W-107602;Q27281453;Z18313678

Chemical Property of Methyl phenoxyacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0294mmHg at 25°C
• Melting Point: 97 - 100ºC
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 244.999 °C at 760 mmHg
• Flash Point: 88.706 °C
• PSA: 35.53000
• Density: 1.108 g/cm³
• LogP: 1.23840
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Phenoxyacetic Acid Methyl Ester ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)COC1=CC=CC=C1
• Uses: Methyl phenoxyacetate (MPOA) was used as an acylating agent in the synthesis of loracarbef, a carbacephalosporin antibiotic.

Technology Process of Methyl phenoxyacetate

There total 25 articles about Methyl phenoxyacetate 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: 100.0%

bromoacetic acid methyl ester (96-32-2) + phenol (108-95-2,27073-41-2) → methyl 2-phenoxyacetate (2065-23-8)

Guidance literature:

With potassium carbonate; In butanone; for 5.5h; Heating;

Reference yield: 98.3%

glycolic acid methyl ester (96-35-5) + phenol (108-95-2,27073-41-2) → methyl 2-phenoxyacetate (2065-23-8)

Guidance literature:

With Mo₁P₃-MCM-48; at 100 - 120 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield: 98.0%

methanol (67-56-1) + 2-phenoxyacetic acid (122-59-8) → methyl 2-phenoxyacetate (2065-23-8)

Guidance literature:

With sulfuric acid; bentonite; for 0.0333333h; microwave irradiation;

DOI:10.1081/SCC-120027275

upstream raw materials:

methanol

2-phenoxyacetic acid

2-diazo-1-phenylethan-1-one

2-Methylene-4-[1-p-tolyl-meth-(Z)-ylidene]-[1,3]oxathiolan-5-one

Downstream raw materials:

methyl 4-[2,2,2-trichloro-1-(4-chlorophenylsulfonylamino)ethyl]phenoxyacetate

phenoxyacetic acid benzyl ester

(3R)-5-phenylpent-1-en-3-ol

phenoxyacetyl hydrazine

Refernces

• 1、 Yan, Xin,Guo, Hao,Cen, Moupan,Huang, Youyou,Zhou, Lin,Zhu, Guohua,Yao, Yong. "Host-guest complexation between simple pillar[5]arene and a new type of neutral guests". . p. 614 - 619. Retrieved 2020.
• 2、 Huang, Hao,Liu, Jian-Min,Shu, Lei,Wang, Man-Man,Yan, Yi-Le,Zhang, Da-Yong,Zhang, Jian-Qiu. "Synthesis and herbicidal activities of aryloxyacetic acid derivatives as HPPD inhibitors". supporting information. p. 233 - 247. Retrieved 2020/03/27.