2-(4-Chloro-3-methylphenoxy)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(4-Chloro-3-methylphenoxy)-2-methylpropanoic acid
• CAS No.: 62443-89-4
• Molecular Formula: C11H13 Cl O3
• Molecular Weight: 228.67
• Hs Code.: 2918990090
• European Community (EC) Number: 809-385-7
• DSSTox Substance ID: DTXSID10211488
• Mol file: 62443-89-4.mol

Synonyms:2-(4-Chloro-3-methylphenoxy)-2-methylpropanoic acid;62443-89-4;2-(4-Chloro-3-methyl-phenoxy)-2-methyl-propionic acid;BRN 2526489;Propanoic acid, 2-(4-chloro-3-methylphenoxy)-2-methyl-;SCHEMBL19469564;DTXSID10211488;BBL013390;MFCD01697494;STK401509;AKOS000103328;VS-03807;LS-121271;CS-0313162;2-(4-Chloro-3-methylphenoxy)-2-methylpropanoicacid;2-(4-chloro-3-methyl-phenoxy)-2-methyl-propionic acid, AldrichCPR

Chemical Property of 2-(4-Chloro-3-methylphenoxy)-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 2.46E-05mmHg at 25°C
• Boiling Point: 344.7°C at 760 mmHg
• Flash Point: 162.3°C
• PSA: 46.53000
• Density: 1.23g/cm³
• LogP: 2.89040
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Chloro-3-methylphenoxy)-2-methylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC(C)(C)C(=O)O)Cl

Technology Process of 2-(4-Chloro-3-methylphenoxy)-2-methylpropanoic acid

There total 2 articles about 2-(4-Chloro-3-methylphenoxy)-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: 92.0%

4-Chloro-3-methylphenol (59-50-7) + chloroform (67-66-3,8013-54-5) + acetone (67-64-1) → α-(3-methyl-4-chlorophenoxy)isobutyric acid (62443-89-4)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield:

→ α-(3-methyl-4-chlorophenoxy)isobutyric acid (62443-89-4)

Guidance literature:

4-Chlor-3-methyl-phenol, Acn., CHCl3, NaOH;

Reference yield: 96.0%

α-(3-methyl-4-chlorophenoxy)isobutyric acid (62443-89-4) → α-(3-methyl-4-chlorophenoxy) isobutyric acid hydrazide (78613-32-8)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

upstream raw materials:

4-Chloro-3-methylphenol

chloroform

acetone

Downstream raw materials:

α-(3-methyl-4-chlorophenoxy) isobutyric acid hydrazide

2-(4-Chloro-3-methyl-phenoxy)-2-methyl-propionyl chloride

2-amino-5-<α-(3'-methyl-4'-chlorophenoxy) isopropyl>-1,3,4-oxadiazole

1-(4'-chloro-3'-methylphenoxyisobutyramido)-2,5-dimethylpyrrole