[1,1':3',1''-Terphenyl]-4,4''-diol

Base Information

• Chemical Name: [1,1':3',1''-Terphenyl]-4,4''-diol
• CAS No.: 124526-56-3
• Molecular Formula: C18H14 O2
• Molecular Weight: 262.308
• DSSTox Substance ID: DTXSID30349878
• Nikkaji Number: J1.768.750F
• Wikidata: Q82125412
• ChEMBL ID: CHEMBL66279
• Mol file: 124526-56-3.mol

Synonyms:[1,1':3',1''-Terphenyl]-4,4''-diol;124526-56-3;4-[3-(4-hydroxyphenyl)phenyl]phenol;[1,1';3',1'']Terphenyl-4,4''-diol;CHEMBL66279;starbld0009803;MLS001204946;SCHEMBL699012;4,4''-dihydroxy-m-terphenyl;BDBM25862;JEOMZHWGIQNWFN-UHFFFAOYSA-;DTXSID30349878;JEOMZHWGIQNWFN-UHFFFAOYSA-N;HMS1676D02;HMS2833I05;ZEA52656;SCH-53020;hydroxyphenyl substituted benzene, 34;AKOS000569155;CS-16109;SMR000517007;CS-0088806;D72046;4,4''-dihydroxy-(1,1':3',1'')-terphenyl;InChI=1/C18H14O2/c19-17-8-4-13(5-9-17)15-2-1-3-16(12-15)14-6-10-18(20)11-7-14/h1-12,19-20H

Chemical Property of [1,1':3',1''-Terphenyl]-4,4''-diol

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 262.099379685
• Heavy Atom Count: 20
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [1,1':3',1''-Terphenyl]-4,4''-diol

There total 13 articles about [1,1':3',1''-Terphenyl]-4,4''-diol 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: 95.0%

4,4’’-dimethoxy-1,1′:3′,1’’-terphenyl (1568-74-7) → 4,4-dihydroxy-1,1':3',1-terphenyl (124526-56-3)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 3h;

DOI:10.1016/j.bmc.2014.04.022

Reference yield: 90.0%

→ 4,4-dihydroxy-1,1':3',1-terphenyl (124526-56-3)

Guidance literature:

Reference yield: 33.0%

1,1,3-tris(4-hydroxyphenyl)cyclohexane → 4,4-dihydroxy-1,1':3',1-terphenyl (124526-56-3)

Guidance literature:

1,1,3-tris(4-hydroxyphenyl)cyclohexane; With Tetraethylene glycol; sodium hydroxide; In water; at 170 ℃; for 9h; under 75.0075 Torr;

With 5%-palladium/activated carbon; 4-methyl-2-pentanone; isopropenylbenzene; at 150 ℃; for 6h; Autoclave;

upstream raw materials:

4,4’’-dimethoxy-1,1′:3′,1’’-terphenyl

1,3-diphenylbenzene

4-methoxyphenylboronic acid

1,3-bis-(4-methoxy-phenyl)-cyclohexane

Refernces

• 1、 -. "NOVEL DICYANATE ESTER COMPOUND". Paragraph 0018; 0020; 0022. . Retrieved 2016/11/14.
• 2、 Ohta, Kiminori,Ogawa, Takumi,Kaise, Asako,Endo, Yasuyuki. "Novel estrogen receptor (ER) modulators containing various hydrophobic bent-core structures". . p. 3508 - 3514. Retrieved 2014/06/23.