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

Base Information

• Chemical Name: 2-(4-Chloro-2-methylphenoxy)-2-methylpropanoic acid
• CAS No.: 42936-88-9
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.675
• European Community (EC) Number: 896-482-2
• DSSTox Substance ID: DTXSID701034677
• Mol file: 42936-88-9.mol

Synonyms:42936-88-9;2-(4-CHLORO-2-METHYLPHENOXY)-2-METHYLPROPANOIC ACID;Propanoic acid, 2-(4-chloro-2-methylphenoxy)-2-methyl-;starbld0039712;SCHEMBL7978183;DTXSID701034677;EN300-6476876;Z803508732

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

Chemical Property:

• XLogP3: 3.1
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 2 articles about 2-(4-Chloro-2-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:

C15H21ClO3 → α-(2-methyl-4-chloro-phenoxy)-isobutyric acid (42936-88-9)

Guidance literature:

With hydrogenchloride; water;

Reference yield:

ethyl 2-bromoisobutyrate (600-00-0) + sodium 4-chloro-2-methyl-phenolate (52106-86-2) → α-(2-methyl-4-chloro-phenoxy)-isobutyric acid (42936-88-9)

Guidance literature:

anschliessend Erwaermen mit wss. NaOH;

Reference yield: 66.0%

3-(3,4-diossimetilenefenil)-4-ammino-5-mercapto-4H-1,2,4-triazolo (67572-54-7) + α-(2-methyl-4-chloro-phenoxy)-isobutyric acid (42936-88-9) → 3-Benzo[1,3]dioxol-5-yl-6-[1-(4-chloro-2-methyl-phenoxy)-1-methyl-ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (106690-29-3)

Guidance literature:

With trichlorophosphate; Heating;

upstream raw materials:

ethyl 2-bromoisobutyrate

sodium 4-chloro-2-methyl-phenolate

Downstream raw materials:

3-Benzo[1,3]dioxol-5-yl-6-[1-(4-chloro-2-methyl-phenoxy)-1-methyl-ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole