4-Acetyl-3-hydroxyphenyl acetate

Base Information

• Chemical Name: 4-Acetyl-3-hydroxyphenyl acetate
• CAS No.: 42059-48-3
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• Hs Code.: 2915390090
• European Community (EC) Number: 659-635-2
• DSSTox Substance ID: DTXSID30379433
• Nikkaji Number: J1.002.184G
• Wikidata: Q82169234
• Mol file: 42059-48-3.mol

Synonyms:4-acetyl-3-hydroxyphenyl acetate;42059-48-3;(4-acetyl-3-hydroxyphenyl) acetate;4'-ACETOXY-2'-HYDROXYACETOPHENONE;MFCD00092225;4-Acetylresorcinol 1-acetate;SCHEMBL4193452;4-acetoxy-2-hydroxyacetophenone;DTXSID30379433;AKOS006228426;89-84-9, Ac;FT-0617395;J-514284

Chemical Property of 4-Acetyl-3-hydroxyphenyl acetate

Chemical Property:

• Vapor Pressure: 8.2E-05mmHg at 25°C
• Melting Point: 73.5-74.5 °C
• Refractive Index: 1.543
• Boiling Point: 331.2 °C at 760 mmHg
• PKA: 9.40±0.10(Predicted)
• Flash Point: 131.4 °C
• PSA: 63.60000
• Density: 1.236 g/cm³
• LogP: 1.52010
• Solubility.: soluble in Methanol
• 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:

98%min ^*data from raw suppliers

4-Acetyl-3-hydroxyphenyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Acetyl-3-hydroxyphenyl acetate

There total 13 articles about 4-Acetyl-3-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: 93.0%

2,4-diacetoxy acetophenone (72712-19-7) → acetic acid 4-acetyl-3-hydroxyphenyl ester (42059-48-3)

Guidance literature:

With boron trifluoride diethyl etherate; In 1,4-dioxane; at 50 ℃;

DOI:10.1016/j.tetlet.2008.05.020

Reference yield: 91.0%

Acetic acid 4-acetyl-3-(4-methoxy-benzyloxy)-phenyl ester → acetic acid 4-acetyl-3-hydroxyphenyl ester (42059-48-3) + p-methoxybenzyl acetate (104-21-2)

Guidance literature:

With acetic acid; at 90 ℃; for 16h;

DOI:10.1080/00397919408011711

Reference yield: 69.0%

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) + acetic anhydride (108-24-7) → acetic acid 4-acetyl-3-hydroxyphenyl ester (42059-48-3)

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; 1) 5 h, room temp., pyridine; 2) acetic ester, water, 20 min : decomposition reaction;

upstream raw materials:

2',4'-dihydroxy-4-acetophenone

sodium acetate

acetic anhydride

vinyl acetate

Downstream raw materials:

2-acetyl-5-(benzyloxy)phenyl acetate

7-Acetoxychromone-3-carboxaldehyde

2,4-diacetylresorcinol

1-(5-acetyl-2,4-dihydroxyphenyl)-1-ethanone

Refernces

• 1、 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.
• 2、 Chand, Karam,Tiwari, Rakesh K.,Kumar, Sumit,Shirazi, Amir Nasrolahi,Sharma, Sweta,Van Der Eycken, Erik V.,Parmar, Virinder S.,Parang, Keykavous,Sharma, Sunil K.. "Synthesis, antiproliferative, and c-Src kinase inhibitory activities of 4-oxo-4H-1-benzopyran derivatives". . p. 562 - 572. Retrieved 2015/03/30.