4-Acetoxymethylphenylacetic acid

Base Information

• Chemical Name: 4-Acetoxymethylphenylacetic acid
• CAS No.: 61165-81-9
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20570250
• Wikidata: Q82457636
• Mol file: 61165-81-9.mol

Synonyms:61165-81-9;4-ACETOXYMETHYLPHENYLACETIC ACID;SCHEMBL9127061;DTXSID20570250;AKOS005064449;{4-[(Acetyloxy)methyl]phenyl}acetic acid

Chemical Property of 4-Acetoxymethylphenylacetic acid

Chemical Property:

• PSA: 63.60000
• LogP: 1.37680
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

4-ACETOXYMETHYLPHENYLACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=C(C=C1)CC(=O)O

Technology Process of 4-Acetoxymethylphenylacetic acid

There total 6 articles about 4-Acetoxymethylphenylacetic 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: 76.0%

4-hydroxymethylphenylacetic acid (73401-74-8) + acetic anhydride (108-24-7) → p-(acetoxymethyl)phenylacetic acid (61165-81-9)

Guidance literature:

4-hydroxymethylphenylacetic acid; acetic anhydride; With pyridine; In chloroform-d1; at 60 ℃;

With water; at 100 ℃;

Reference yield: 76.0%

acetic anhydride (108-24-7) + 1-(4-hydroxymethylphenyl)propan-2-one (77955-04-5) → p-(acetoxymethyl)phenylacetic acid (61165-81-9)

Guidance literature:

acetic anhydride; 1-(4-hydroxymethylphenyl)propan-2-one; With pyridine; In chloroform; at 60 ℃;

With water; at 100 ℃;

Reference yield: 8.0%

4-tolylacetic acid (622-47-9) + potassium acetate (127-08-2) → p-methylbenzyl alcohol acetate (2216-45-7) + 1,4-bis(hydroxymethyl)benzene diacetate (14720-70-8) + p-(acetoxymethyl)phenylacetic acid (61165-81-9) + acetoxy-p-tolyl-acetic acid (145297-16-1,91143-62-3)

Guidance literature:

With dipotassium peroxodisulfate; copper diacetate; In acetic acid; for 3h; Heating;

DOI:10.1039/P19810001574

upstream raw materials:

4-bromophenylacetic acid

sodium acetate

4-tolylacetic acid

potassium acetate

Downstream raw materials:

C₁₁H₁₁ClO₃

N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)-2-(4-(hydroxymethyl)phenyl)acetamide

N-[2-(4-acetoxymethylphenyl)acetyl] thiourea