4-Formyl-3-hydroxyphenyl acetate

Base Information

• Chemical Name: 4-Formyl-3-hydroxyphenyl acetate
• CAS No.: 52924-53-5
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• ChEMBL ID: CHEMBL3786257
• DSSTox Substance ID: DTXSID00505621
• Nikkaji Number: J2.599.349G
• Wikidata: Q82360857
• Mol file: 52924-53-5.mol

Synonyms:4-formyl-3-hydroxyphenyl acetate;52924-53-5;(4-formyl-3-hydroxyphenyl) acetate;Benzaldehyde, 4-(acetyloxy)-2-hydroxy-;SCHEMBL3830724;CHEMBL3786257;DTXSID00505621;OVACZDCYFSHICJ-UHFFFAOYSA-N

Chemical Property of 4-Formyl-3-hydroxyphenyl acetate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=C(C=C1)C=O)O

Technology Process of 4-Formyl-3-hydroxyphenyl acetate

There total 5 articles about 4-Formyl-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: 91.0%

2,4-diacetoxybenzaldehyde (41777-08-6) → acetic acid 4-formyl-3-hydroxyphenyl ester (52924-53-5)

Guidance literature:

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

DOI:10.1016/j.tetlet.2008.05.020

Reference yield: 54.0%

acetyl chloride (75-36-5) + 2,4-Dihydroxybenzaldehyde (95-01-2) → acetic acid 4-formyl-3-hydroxyphenyl ester (52924-53-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1039/c7ob02459b

Reference yield:

Acetic acid 2-oxo-3-(2-oxo-2H-chromen-7-yloxy)-2H-chromen-7-yl ester → acetic acid 4-formyl-3-hydroxyphenyl ester (52924-53-5) + 2,4-Dihydroxybenzaldehyde (95-01-2)

Guidance literature:

With ozone; In chloroform; at -10 ℃;

DOI:10.1016/0031-9422(89)85042-3

upstream raw materials:

2,4-diacetoxybenzaldehyde

vinyl acetate

2,4-Dihydroxybenzaldehyde

recorcinol

Downstream raw materials:

acetic acid 2-oxo-3-phenyl-2H-chromen-7-yl ester

4-(7-acetoxy-2-oxo-2H-chromen-3-yl)phenyl acetate

7-hydroxy-3-(3',4'-dihydroxyphenyl)coumarin

C₂₁H₁₆O₈