Benzene-1,3-diylbis[(4-hydroxyphenyl)methanone]

Base Information

• Chemical Name: Benzene-1,3-diylbis[(4-hydroxyphenyl)methanone]
• CAS No.: 5436-05-5
• Molecular Formula: C20H14O4
• Molecular Weight: 318.329
• European Community (EC) Number: 816-325-3
• NSC Number: 21344
• DSSTox Substance ID: DTXSID30281340
• Nikkaji Number: J1.340.743F
• Wikidata: Q82015225
• Mol file: 5436-05-5.mol

Synonyms:5436-05-5;NSC 21344;benzene-1,3-diylbis[(4-hydroxyphenyl)methanone];NSC21344;SCHEMBL698836;DTXSID30281340;1,3-bis(4-hydroxybenzoyl)-benzene;1,3-bis-(4-hydroxybenzoyl)benzene;NSC-21344;4,4'-(1,3-Phenylenebiscarbonyl)bisphenol

Chemical Property of Benzene-1,3-diylbis[(4-hydroxyphenyl)methanone]

Chemical Property:

• Vapor Pressure: 6.12E-14mmHg at 25°C
• Boiling Point: 577.6°C at 760 mmHg
• Flash Point: 317.1°C
• Density: 1.312g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 318.08920892
• Heavy Atom Count: 24
• Complexity: 405

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene-1,3-diylbis[(4-hydroxyphenyl)methanone]

There total 8 articles about Benzene-1,3-diylbis[(4-hydroxyphenyl)methanone] 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: 45.0%

1,3-diethynylbenzene (1785-61-1) + phenol (108-95-2,27073-41-2) → 1, 3-phenylenebis ((4-hydroxyphenyl)methanone) (5436-05-5) + (3-ethynylphenyl)(4-hydroxyphenyl)methanone

Guidance literature:

With oxygen; copper(l) chloride; In acetonitrile; at 25 - 28 ℃; for 15h; regioselective reaction; Irradiation;

DOI:10.1021/jacs.6b13113

Reference yield: 38.0%

1,3-phenylenebis[(4-methoxyphenyl)methanone] (7477-29-4) → 1, 3-phenylenebis ((4-hydroxyphenyl)methanone) (5436-05-5)

Guidance literature:

1,3-phenylenebis[(4-methoxyphenyl)methanone]; With boron dimethyl-trifluoro sulphide; In dichloromethane; for 27h;

With water; In dichloromethane;

Reference yield:

diphenyl isophthalate (744-45-6) → 1, 3-phenylenebis ((4-hydroxyphenyl)methanone) (5436-05-5)

Guidance literature:

With carbon disulfide; aluminium trichloride; Erhitzen des vom Schwefelkohlenstoff befreiten Reaktionsgemisches auf 190grad;

DOI:10.1021/ja01277a001

upstream raw materials:

diphenyl isophthalate

1,3-phenylenebis[(4-methoxyphenyl)methanone]

methoxybenzene

benzene-1,3-dicarbonyl dichloride

Downstream raw materials:

1,3-bis-(4-isopropoxybenzoyl)benzene

1,3-bis-(4-isopropoxybenzoyl)benzene dithiosemicarbazone

1,3-bis-(4-isopropoxybenzoyl)benzene thiosemicarbazone

isophthalic acid