2-(2-Chlorophenoxy)propanoic acid

Base Information

• Chemical Name: 2-(2-Chlorophenoxy)propanoic acid
• CAS No.: 25140-86-7
• Deprecated CAS: 76466-16-5
• Molecular Formula: C₉H₉ClO₃
• Molecular Weight: 200.622
• Hs Code.: 29189990
• European Community (EC) Number: 679-620-4
• DSSTox Substance ID: DTXSID50871343
• Nikkaji Number: J208.257H
• Mol file: 25140-86-7.mol

Synonyms:2-(2-Chlorophenoxy)propanoic acid;25140-86-7;2-(2-Chlorophenoxy)propionic acid;Propanoic acid, 2-(2-chlorophenoxy)-;2-(o-Chlorophenoxy)propionic acid;Propionic acid, 2-(o-chlorophenoxy)-;Acide (o-chlorophenoxy)-2 propionique;AI3-14676;Acide (o-chlorophenoxy)-2 propionique [French];(+/-)-2-(2-chlorophenoxy)propionic acid;2-(2-Chlorophenoxy)propanoicacid;(2RS)-2-(2-chlorophenoxy)propionic acid;SCHEMBL503699;ZGWNXHRVUJVMCP-UHFFFAOYSA-;DTXSID50871343;STR05127;2-(2-chlorophenoxy)-propanoic acid;AR3830;BBL009420;MFCD00002644;STK397539;2-(2-Chlorophenoxy)propanoic acid #;AKOS000127079;AKOS016844130;LS-124565;CS-0146881;FT-0608452;EN300-31509;J-015833;Z65532924;2-(2-chlorophenoxy)propanoic acid;2-(2-CHLOROPHENOXY)PROPIONIC ACID

Chemical Property of 2-(2-Chlorophenoxy)propanoic acid

Chemical Property:

• Appearance/Colour: cream to beige crystalline powder
• Vapor Pressure: 0.000181mmHg at 25°C
• Melting Point: 110-116 °C
• Refractive Index: 1.5230 (estimate)
• Boiling Point: 315.7 °C at 760 mmHg
• PKA: 3.11±0.10(Predicted)
• Flash Point: 144.8 °C
• PSA: 46.53000
• Density: 1.307 g/cm³
• LogP: 2.19190
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

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

2-(2-Chlorophenoxy)propionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=CC=C1Cl

Technology Process of 2-(2-Chlorophenoxy)propanoic acid

There total 24 articles about 2-(2-Chlorophenoxy)propanoic acid 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: 73.0%

(S)-methyl 2-(2-chlorophenoxy) propionate (122674-93-5) → (S)-2-(2-chlorophenoxy) propanoic acid (25140-86-7,31460-41-0,31460-42-1,76466-16-5)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.3987/COM-12-S(N)79

Reference yield:

2-(2-chlorophenoxy)propanoic acid methyl ester (74411-15-7,122674-93-5,140146-13-0,122623-80-7) → (R)-2-(2-chlorophenoxy) propanoic acid (25140-86-7,31460-41-0,31460-42-1,76466-16-5) + (S)-2-(2-chlorophenoxy) propanoic acid (25140-86-7,31460-41-0,31460-42-1,76466-16-5)

Guidance literature:

With phosphate buffer; β‐cyclodextrin; at 37 ℃; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; bovine serum albumin (BSA);

DOI:10.1016/S0957-4166(00)82154-0

Reference yield:

2-(2-chlorophenoxy)propanoic acid methyl ester (74411-15-7,122674-93-5,140146-13-0,122623-80-7) → (R)-2-(2-chlorophenoxy) propanoic acid (25140-86-7,31460-41-0,31460-42-1,76466-16-5) + (S)-2-(2-chlorophenoxy) propanoic acid (25140-86-7,31460-41-0,31460-42-1,76466-16-5)

Guidance literature:

With phosphate buffer; β‐cyclodextrin; at 37 ℃; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; bovine serum albumin (BSA);

DOI:10.1016/S0957-4166(00)82154-0

upstream raw materials:

2-(2-chlorophenoxy)propanoic acid methyl ester

Ethyl 2-(2-chlorophenoxy)propionate

2-(2-Chloro-phenoxy)-propionic acid isopropyl ester

(R)-methyl 2-(2-chlorophenoxy) propionate

Downstream raw materials:

di(1-naphthyl)methyl (S)-2-(2-chlorophenoxy)propanoate

Refernces

• 1、 Kao, Min-Fang,Lu, Pei-Yu,Kao, Jou-Yan,Wang, Pei-Yun,Wu, An-Chi,Tsai, Shau-Wei. "(R,S)-2-chlorophenoxyl pyrazolides as novel substrates for improving lipase-catalyzed hydrolytic resolution". . p. 60 - 66. Retrieved 2012/05/04.
• 2、 Azzolina,Collina,Ghislandi. "Optical resolution of aryloxypropionic acids and their esters by HPLC on cellulose tris-3,5-dimethyl-triphenylcarbamate derivative". . p. 1401 - 1416. Retrieved 2007/10/02.