3,3',4,5'-Tetrahydroxybibenzyl

Base Information

• Chemical Name: 3,3',4,5'-Tetrahydroxybibenzyl
• CAS No.: 22318-80-5
• Molecular Formula: C14H14 O4
• Molecular Weight: 246.263
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID10176861
• Nikkaji Number: J442.521I
• Wikidata: Q83047189
• Metabolomics Workbench ID: 131035
• ChEMBL ID: CHEMBL329520
• Mol file: 22318-80-5.mol

Synonyms:3,3',4,5'-tetrahydroxybibenzyl

Chemical Property of 3,3',4,5'-Tetrahydroxybibenzyl

Chemical Property:

• Vapor Pressure: 5.98E-10mmHg at 25°C
• Boiling Point: 482.9°Cat760mmHg
• PKA: 9.49±0.10(Predicted)
• Flash Point: 238.2°C
• PSA: 80.92000
• Density: 1.393g/cm³
• LogP: 2.29420
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 246.08920892
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCC2=CC(=CC(=C2)O)O)O)O

Technology Process of 3,3',4,5'-Tetrahydroxybibenzyl

There total 9 articles about 3,3',4,5'-Tetrahydroxybibenzyl 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: 85.0%

3,5,4',5'-tetramethoxydihydrostilbene (22318-87-2) → Dihydropiceatannol (22318-80-5)

Guidance literature:

With hydrogen bromide; acetic acid; In water; for 3h; Reflux;

DOI:10.1021/acs.jnatprod.7b00129

Reference yield: 65.0%

3'-β-D-Glucopyranosyloxy-3,4,5'-trihydroxy-1,2-diphenylethane (62502-05-0) → Dihydropiceatannol (22318-80-5)

Guidance literature:

In water; at 37 ℃; for 72h; β-D-glucuronidase;

DOI:10.1016/0031-9422(93)85280-5

Reference yield:

trans-piceatannol (10083-24-6,106325-86-4) → Dihydropiceatannol (22318-80-5)

Guidance literature:

With hydrogen; platinum; In ethyl acetate; for 2h; Ambient temperature;

DOI:10.1248/cpb.39.3276

upstream raw materials:

trans-piceatannol

3'-β-D-Glucopyranosyloxy-3,4,5'-trihydroxy-1,2-diphenylethane

piceatannol

3,4,3',5'-Tetraacetoxy-dibenzyl

Refernces

• 1、 Moodie, Lindon W. K.,Trepos, Rozenn,Cervin, Gunnar,Brathen, Kari Anne,Lindgard, Bente,Reiersen, Rigmor,Cahill, Patrick,Pavia, Henrik,Hellio, Claire,Svenson, Johan. "Prevention of Marine Biofouling Using the Natural Allelopathic Compound Batatasin-III and Synthetic Analogues". . p. 2001 - 2011. Retrieved 2017/08/04.
• 2、 Rueda, Diana C.,Sch?ffmann, Angela,De Mieri, Maria,Raith, Melanie,J?hne, Evelyn A.,Hering, Steffen,Hamburger, Matthias. "Identification of dihydrostilbenes in Pholidota chinensis as a new scaffold for GABAA receptor modulators". . p. 1276 - 1284. Retrieved 2014/03/21.