Catechol, acetate

Base Information

• Chemical Name: Catechol, acetate
• CAS No.: 2848-25-1
• Molecular Formula: C8H8 O3
• Molecular Weight: 152.15
• European Community (EC) Number: 861-077-1
• NSC Number: 57635
• DSSTox Substance ID: DTXSID50288795
• Nikkaji Number: J1.134.937D
• Wikidata: Q82025887
• ChEMBL ID: CHEMBL173439
• Mol file: 2848-25-1.mol

Synonyms:Catechol, acetate;2-hydroxyphenyl acetate;2848-25-1;(2-hydroxyphenyl) acetate;hydroxyphenyl acetate;SCHEMBL361220;CHEMBL173439;DTXSID50288795;Acetic acid 2-hydroxy-phenyl ester;CAA84825;NSC57635;NSC-57635;AKOS022634758;EN300-373445;Z1513803522

Chemical Property of Catechol, acetate

Chemical Property:

• Vapor Pressure: 0.022mmHg at 25°C
• Boiling Point: 242.3°Cat760mmHg
• Flash Point: 102.7°C
• Density: 1.212g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1O

Technology Process of Catechol, acetate

There total 37 articles about Catechol, 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%

C15H14O3 (1000787-20-1) → 2-acetoxyphenol (2848-25-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃;

DOI:10.1016/j.bmcl.2007.09.069

Reference yield: 96.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + acetic acid (64-19-7,77671-22-8) → 2-acetoxyphenol (2848-25-1)

Guidance literature:

With 50wtpercent Cs_2.5H_0.5PW₁₂O₄₀ supported on MCM-41; In acetonitrile; at 50 ℃; for 0.5h;

DOI:10.1007/s12039-012-0291-8

Reference yield: 96.0%

acetic anhydride (108-24-7) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 2-acetoxyphenol (2848-25-1)

Guidance literature:

In acetonitrile; Inert atmosphere; Reflux;

DOI:10.1039/c7ob01721a

upstream raw materials:

acetic anhydride

benzene-1,2-diol

pyridine

2-oxo-1,3,2-benzodioxathiolene

Downstream raw materials:

6-oxocyclohexa-2,4-diene-1,1-diyl diacetate

Catecholacetatmalonat

2-((R)-hex-1-yn-3-yloxy)phenyl acetate

C₂₀H₁₈ClNO₃S

Refernces

• 1、 Amit, Dubey,Verma, Savita. "Vinyl Phosphonic Acid Functionalized Silica Polymer Nanocomposites for the Acylation of Phenol". . p. 724 - 733. Retrieved 2022/01/13.
• 2、 Skvorcova,Jirgensons. "Intramolecular cyclopropylmethylation via non-classical carbocations". supporting information. p. 6909 - 6912. Retrieved 2017/09/01.