Methyl 2,6-dimethylphenoxy acetate

Base Information

• Chemical Name: Methyl 2,6-dimethylphenoxy acetate
• CAS No.: 38930-22-2
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID701223569
• Mol file: 38930-22-2.mol

Synonyms:Methyl 2,6-dimethylphenoxy acetate;38930-22-2;methyl 2-(2,6-dimethylphenoxy)acetate;SCHEMBL10428803;methyl 2,6-dimethylphenoxyacetate;LXKNFFSMAVWXOF-UHFFFAOYSA-N;DTXSID701223569;AKOS008911328;Acetic acid, 2-(2,6-dimethylphenoxy)-, methyl ester

Chemical Property of Methyl 2,6-dimethylphenoxy acetate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 2,6-dimethylphenoxy acetate

There total 4 articles about Methyl 2,6-dimethylphenoxy acetate 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: 100.0%

2.6-dimethylphenol (576-26-1,25134-01-4) + bromoacetic acid methyl ester (96-32-2) → methyl 2-(2,6-dimethylphenoxy)acetate (38930-22-2)

Guidance literature:

With caesium carbonate; In acetonitrile; at 20 ℃; for 24h;

Reference yield: 58.0%

methyl 2-(2-iodophenoxy)acetate (186395-08-4) + carbonic acid dimethyl ester (616-38-6) → methyl 2-(2,6-dimethylphenoxy)acetate (38930-22-2)

Guidance literature:

methyl 2-(2-iodophenoxy)acetate; With tetrabutylammomium bromide; potassium carbonate; palladium dichloride; In N,N-dimethyl acetamide; Schlenk technique; Inert atmosphere;

carbonic acid dimethyl ester; In N,N-dimethyl acetamide; at 105 ℃; for 12h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.0c13057

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) + methyl chloroacetate (96-34-4) → methyl 2-(2,6-dimethylphenoxy)acetate (38930-22-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1021/jm980637h

upstream raw materials:

2.6-dimethylphenol

methyl chloroacetate

bromoacetic acid methyl ester

methyl 2-(2-iodophenoxy)acetate

Downstream raw materials:

2-(2,6-dimethylphenoxy)acetohydrazide

(E)-N’-((1H-indol-4-yl)methylene)-2-(2,6-dimethylphenoxy)acetohydrazide

(E)-N’-((1H-indol-6-yl)methylene)-2-(2,6-dimethylphenoxy)acetohydrazide

methyl 4-acetyl-2,6-dimethylphenoxyacetate

Refernces

• 1、 -. "N-ACYLHYDRAZONE DERIVATIVES FOR SELECTIVE T CELL INHIBITOR AND ANTI-LYMPHOID MALIGNANCY DRUG". Page/Page column 21. . Retrieved 2014/03/25.
• 2、 -. "Synthesis of peptide amides by means of a solid phase method using acid-labile anchoring groups". . . Retrieved 2008/06/13.