Methyl 2-phenoxypropanoate

Base Information

• Chemical Name: Methyl 2-phenoxypropanoate
• CAS No.: 2065-24-9
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• NSC Number: 408320
• DSSTox Substance ID: DTXSID601311751
• Nikkaji Number: J47.351K
• Mol file: 2065-24-9.mol

Synonyms:Methyl 2-phenoxypropanoate;2065-24-9;2-Phenoxypropionic acid methyl ester;METHYL2-PHENOXYPROPANOATE;Propanoic acid, 2-phenoxy-, methyl ester;methyl 2-phenoxypropionate;Methyl 2-phenoxypropanoate #;SCHEMBL839599;SCHEMBL6554267;DTXSID601311751;2-phenoxypropanoic acid methyl ester;MFCD00101208;NSC408320;AKOS005199334;NSC-408320;FT-0722585;Z18881181

Chemical Property of Methyl 2-phenoxypropanoate

Chemical Property:

• Vapor Pressure: 0.0357mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 241.6 °C at 760 mmHg
• Flash Point: 94.3 °C
• PSA: 35.53000
• Density: 1.08 g/cm³
• LogP: 1.62690
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-Phenoxypropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC)OC1=CC=CC=C1
• Uses: Methyl 2-Phenoxypropanoate is a substrate for Candida rugosa lipase and Humicola lipase.

Technology Process of Methyl 2-phenoxypropanoate

There total 12 articles about Methyl 2-phenoxypropanoate 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: 90.0%

methanol (67-56-1) + 2-phenoxypropionic acid (940-31-8) → methyl 2-phenoxypropanoate (2065-24-9)

Guidance literature:

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

Reference yield: 86.0%

[9,9']Biphenanthrenyl-10,10'-diol; compound with 2-phenoxy-propionic acid methyl ester → 2-Phenoxy-propionic acid methyl ester (2065-24-9,23844-54-4,115880-48-3,115880-50-7)

Guidance literature:

heating under vacuum;

DOI:10.1016/S0040-4039(00)82049-3

Reference yield: 81.0%

carbonic acid dimethyl ester (616-38-6) + 2-phenoxyacetic acid (122-59-8) → methyl 2-phenoxypropanoate (2065-24-9)

Guidance literature:

With potassium tert-butylate; In neat (no solvent); at 200 ℃; for 48h; stainless-steel autoclave;

DOI:10.1016/0040-4020(95)00718-N

upstream raw materials:

Methyl 2-bromopropionate

sodium phenoxide

methanol

2-phenoxypropionic acid

Downstream raw materials:

2-phenoxypropyl toluene-4-sulfonate

(RS)-methyl 2-(4-hydroxyphenoxy)propionate

methyl 2-(4-acetylphenoxy)propionate

2-(2,4-dichlorophenoxy)propanoic acid methyl ester

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、 -. "A phenoxy carboxylic acid ester herbicide preparation method (by machine translation)". Paragraph 0086; 0087; 0090; 0091. . Retrieved 2019/01/08.