2-(3-Chlorophenoxy)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(3-Chlorophenoxy)-2-methylpropanoic acid
• CAS No.: 17413-73-9
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.6455
• Hs Code.: 2918990090
• European Community (EC) Number: 808-702-6
• DSSTox Substance ID: DTXSID00169767
• Nikkaji Number: J1.565.060E
• Wikidata: Q83039513
• Mol file: 17413-73-9.mol

Synonyms:2-(3-chlorophenoxy)-2-methylpropanoic acid;17413-73-9;Propionic acid, 2-(m-chlorophenoxy)-2-methyl-;Propanoic acid, 2-(3-chlorophenoxy)-2-methyl-;BRN 1874066;2-(m-Chlorophenoxy)-2-methylpropionic acid;Acide (m-chlorophenoxy)-2 methyl-2 propionique [French];Acide (m-chlorophenoxy)-2 methyl-2 propionique;SCHEMBL3374117;DTXSID00169767;BBL014136;MFCD01695660;STK397554;AKOS000102211;AS-37295;LS-124567;2-(3-Chlorophenoxy)-2-methylpropionic acid;CS-0207238;FT-0717026;2-(3-Chlorophenoxy)-2-methyl-propanoic acid;EN300-75658;A18312;2-(3-Chlorophenoxy)-2-methylpropanoic acid, AldrichCPR;Z274535144

Chemical Property of 2-(3-Chlorophenoxy)-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.000103mmHg at 25°C
• Boiling Point: 324.1°Cat760mmHg
• Flash Point: 149.8°C
• PSA: 46.53000
• Density: 1.265g/cm³
• LogP: 2.58200
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

2-(3-chlorophenoxy)-2-methylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)OC1=CC(=CC=C1)Cl

Technology Process of 2-(3-Chlorophenoxy)-2-methylpropanoic acid

There total 5 articles about 2-(3-Chlorophenoxy)-2-methylpropanoic 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:

3-monochlorophenol (108-43-0) + 2-bromo-2-methylpropionic acid (2052-01-9) → α-(3-chloro-phenoxy)-isobutyric acid (17413-73-9)

Guidance literature:

3-monochlorophenol; With sodium hydroxide; In butanone; at 50 ℃; for 2h;

2-bromo-2-methylpropionic acid; In butanone; at 50 ℃; for 12h;

DOI:10.1021/ja400659s

Reference yield:

ethyl 2-bromoisobutyrate (600-00-0) + sodium m-chlorophenoxide (3046-27-3) → α-(3-chloro-phenoxy)-isobutyric acid (17413-73-9)

Guidance literature:

With ethanol; anschliessendes Erwaermen mit wss. Natronlauge;

Reference yield:

3-monochlorophenol (108-43-0) → α-(3-chloro-phenoxy)-isobutyric acid (17413-73-9)

Guidance literature:

With sodium hydroxide; chloroform; acetone;

upstream raw materials:

ethyl 2-bromoisobutyrate

sodium m-chlorophenoxide

3-monochlorophenol

chloroform

Downstream raw materials:

2-(3-chloro-phenoxy)-2-methyl-propionyl chloride

ethyl 2-(3-chlorophenoxy)-2-methylpropionate