4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one

Base Information

• Chemical Name: 4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one
• CAS No.: 35675-66-2
• Molecular Formula: C20H16 O3
• Molecular Weight: 304.345
• European Community (EC) Number: 252-671-6
• DSSTox Substance ID: DTXSID00189182,DTXSID201317969
• Nikkaji Number: J135.617H,J260.668B
• Mol file: 35675-66-2.mol

Synonyms:633-00-1;4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one;35675-66-2;BRN 2592232;4-(Bis(4-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-one;EINECS 252-671-6;4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one;2,5-Cyclohexadien-1-one, 4-(bis(p-hydroxyphenyl)methylene)-2-methyl-;4-(Bis(p-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-one;C20H16O3;DTXSID00189182;DTXSID201317969;LS-56299;2,5-Cyclohexadien-1-one, 4-(bis(4-hydroxyphenyl)methylene)-2-methyl-,;2,5-Cyclohexadien-1-one, 4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]-;4-[(4-HYDROXY-3-METHYLPHENYL)(4-HYDROXYPHENYL)METHYLENE]-2,5-CYCLOHEXADIEN-1-ONE

Chemical Property of 4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one

Chemical Property:

• Vapor Pressure: 1.95E-12mmHg at 25°C
• Boiling Point: 543.7°Cat760mmHg
• Flash Point: 296.7°C
• PSA: 57.53000
• Density: 1.284g/cm³
• LogP: 3.90320
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 304.109944368
• Heavy Atom Count: 23
• Complexity: 517

Purity/Quality:

99% ^*data from raw suppliers

4-[(4-HYDROXY-3-METHYLPHENYL)(4-HYDROXYPHENYL)METHYLENE]CYCLOHEXA-2,5-DIEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O)O

Technology Process of 4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one

There total 2 articles about 4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one 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:

→ 4-(4,4'-dihydroxy-3-methyl-benzhydrylidene)-cyclohexa-2,5-dienone (35675-66-2)

Guidance literature:

With cis-nitrous acid; Kochen der diazotierten Verbindung mit Salzsaeure;

Reference yield:

(4-Amino-3-methyl-phenyl)-bis-(4-amino-phenyl)-methanol (76-82-4) → 4-(4,4'-dihydroxy-3-methyl-benzhydrylidene)-cyclohexa-2,5-dienone (35675-66-2)

Guidance literature:

With hydrogenchloride; water; langsame Versetzung mit verd. Alkalinitrit Loesung und allmaehliches Erhitzen zum Sieden;

Reference yield:

4-(4,4'-dihydroxy-3-methyl-benzhydrylidene)-cyclohexa-2,5-dienone (35675-66-2) → water (7732-18-5) + phenol (108-95-2,27073-41-2)

Guidance literature:

upstream raw materials:

(4-Amino-3-methyl-phenyl)-bis-(4-amino-phenyl)-methanol

Downstream raw materials:

(4-hydroxy-3-methyl-phenyl)-bis-(4-hydroxy-phenyl)-methane

water

phenol