3-Acetyl-4-hydroxyphenyl acetate

Base Information

• Chemical Name: 3-Acetyl-4-hydroxyphenyl acetate
• CAS No.: 21222-04-8
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• DSSTox Substance ID: DTXSID00438006
• Nikkaji Number: J1.421.496H
• Wikidata: Q82253611
• Mol file: 21222-04-8.mol

Synonyms:3-acetyl-4-hydroxyphenyl acetate;21222-04-8;(3-acetyl-4-hydroxyphenyl) acetate;SCHEMBL312949;DTXSID00438006;MMOTWJGMUVIYAQ-UHFFFAOYSA-N;AKOS006277995;Acetic acid 3-acetyl-4-hydroxyphenyl ester;5'-Acetoxy-2'-hydroxyacetophenone, AldrichCPR

Chemical Property of 3-Acetyl-4-hydroxyphenyl acetate

Chemical Property:

• Melting Point: 91°C
• PSA: 63.60000
• LogP: 1.52010
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Acetyl-4-hydroxyphenyl acetate

There total 10 articles about 3-Acetyl-4-hydroxyphenyl 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: 94.0%

benzene-1,4-diyl diacetate (1205-91-0) → 5'-Acetoxy-2'-hydroxyacetophenone (21222-04-8)

Guidance literature:

With borontrifluoride acetic acid; for 1h; Heating;

DOI:10.1021/jo000412q

Reference yield: 15.0%

benzene-1,4-diyl diacetate (1205-91-0) → 1,4-diacetyl-2,5-dihydroxybenzene (20129-52-6) + 5'-Acetoxy-2'-hydroxyacetophenone (21222-04-8) + 2,5-Dihydroxyacetophenone (490-78-8)

Guidance literature:

In methanol; for 12h; Irradiation;

Reference yield: 9.0%

hydroquinone dipropionate ester (7402-28-0) + acetic acid (64-19-7,77671-22-8) → 5'-Acetoxy-2'-hydroxyacetophenone (21222-04-8) + 5'-Acetoxy-2'-hydroxypropiophenone

Guidance literature:

With boron trifluoride; for 1h; Heating;

DOI:10.1021/jo000412q

upstream raw materials:

benzene-1,4-diyl diacetate

acetic anhydride

2,5-Dihydroxyacetophenone

vinyl acetate

Refernces

• 1、 Razzaghi-Asl, Nima,Aggarwal, Neha,Srivastava, Smriti,Parmar, Virinder S.,Prasad, Ashok K.,Miri, Ramin,Saso, Luciano,Firuzi, Omidreza. "Inhibition of Alzheimer's BACE-1 by 2,6-dialkyl-4-chromon-3-yl-1,4-dihydropyridine-3,5-dicarboxylates". . p. 3230 - 3241. Retrieved 2015.
• 2、 Chand, Karam,Sharma, Atul K.,Sharma, Sunil K.. "Synthesis, 1H and 13C NMR assignment of novel 2-pyridone derivatives". . p. 91 - 102. Retrieved 2015/12/26.