2-(3,4,5-Trihydroxyphenoxy)benzene-1,3,5-triol

Base Information

• Chemical Name: 2-(3,4,5-Trihydroxyphenoxy)benzene-1,3,5-triol
• CAS No.: 53254-99-2
• Molecular Formula: C12H10 O7
• Molecular Weight: 266.2
• Hs Code.: 2909499000
• NSC Number: 235165
• UNII: 2CYH3FN39A
• DSSTox Substance ID: DTXSID60310995
• Nikkaji Number: J2.476.271H
• Wikipedia: Bifuhalol
• Wikidata: Q4904815
• Mol file: 53254-99-2.mol

Synonyms:Bifuhalol;53254-99-2;2-(3,4,5-trihydroxyphenoxy)benzene-1,3,5-triol;2CYH3FN39A;NSC-235165;UNII-2CYH3FN39A;5-(2,4,6-Trihydroxyphenoxy)-1,2,3-benzenetriol;5-(2,4,6-TRIHYDROXYPHENOXY)BENZENE-1,2,3-TRIOL;NSC235165;DTXSID60310995;Q4904815

Chemical Property of 2-(3,4,5-Trihydroxyphenoxy)benzene-1,3,5-triol

Chemical Property:

• Vapor Pressure: 2E-13mmHg at 25°C
• Boiling Point: 566.3°Cat760mmHg
• Flash Point: 296.3°C
• PSA: 130.61000
• Density: 1.767g/cm³
• LogP: 1.71250
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 266.04265265
• Heavy Atom Count: 19
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4,5-TRIHYDROXYPHENOXY)BENZENE-1,3,5-TRIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)OC2=CC(=C(C(=C2)O)O)O)O)O

Technology Process of 2-(3,4,5-Trihydroxyphenoxy)benzene-1,3,5-triol

There total 9 articles about 2-(3,4,5-Trihydroxyphenoxy)benzene-1,3,5-triol 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: 98.0%

2,4,6,3',4',5'-hexamethoxydiphenyl ether (58235-51-1) → 2,4,6,3',4',5'-hexahydroxydiphenyl ether (53254-99-2)

Guidance literature:

With boron tribromide; In dichloromethane;

Reference yield:

bifuhalol hexaacetate (56318-98-0) → 2,4,6,3',4',5'-hexahydroxydiphenyl ether (53254-99-2)

Guidance literature:

With hydrogenchloride; In methanol;

DOI:10.1002/ardp.19753081103

Reference yield:

2-bromo-1,3,5-trimethoxybenzene (1131-40-4) → 2,4,6,3',4',5'-hexahydroxydiphenyl ether (53254-99-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Cu₂O, collidine

2: (i) BBr₃, CH₂Cl₂, (ii) /BRN= 385737/, Py

3: HCl / methanol

With copper(I) oxide; 2,3,5-trimethyl-pyridine; hydrogenchloride; In methanol;

DOI:10.1002/ardp.19753081103

upstream raw materials:

2,4,6,3',4',5'-hexamethoxydiphenyl ether

bifuhalol hexaacetate

2,4,6-trimethoxybenzaldehyde

1-bromo-3,4,5-trimethoxybenzene