Diacetylresveratryl thioctate

Base Information

• Chemical Name: Diacetylresveratryl thioctate
• CAS No.: 1082892-39-4
• Molecular Formula: C₂₆H₂₈O₆S₂
• Molecular Weight: 500.637
• UNII: 8595S3630V
• Mol file: 1082892-39-4.mol

Synonyms:Diacetylresveratryl thioctate;Diacetyl lipoylresveratrol;(+/-)-Diacetylresveratryl thioctate;3,5-O-diacetylresveratrol-4'-lipoate;Diacetylresveratryl thioctate, (+/-)-;UNII-8595S3630V;1082892-39-4;8595S3630V;1,2-Dithiolane-3-pentanoic acid, 4-((1E)-2-(3,5-bis(acetyloxy)phenyl)ethenyl)phenyl ester;SCHEMBL4252809;SCHEMBL4252813;DIACETYLRESVERATRYL THIOCTATE [INCI];Q27269621

Chemical Property of Diacetylresveratryl thioctate

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 500.13273096
• Heavy Atom Count: 34
• Complexity: 679

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)OC(=O)CCCCC3CCSS3)OC(=O)C
• Isomeric SMILES: CC(=O)OC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)OC(=O)CCCCC3CCSS3)OC(=O)C

Technology Process of Diacetylresveratryl thioctate

There total 1 articles about Diacetylresveratryl thioctate 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: 49.0%

5-((3R)-1,2-dithiolan-3-yl)pentanoyl chloride (13880-12-1) + 4-hydroxy-3′,5′-diacetyl-trans-stilbene (411233-14-2) → (E)-4-(3,5-diacetoxystyryl)phenyl-5-(1,2-dithiolan-3-yl)pentanoate (1082892-39-4)

Guidance literature:

With dmap; triethylamine; In tetrahydrofuran; dichloromethane; for 1h; Inert atmosphere;

Reference yield:

(E)-4-(3,5-diacetoxystyryl)phenyl-5-(1,2-dithiolan-3-yl)pentanoate (1082892-39-4) → acetate (71-50-1) + (E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol (501-36-0) + lipoate + Thioctic acid (1077-28-7,62-46-4)

Guidance literature:

With water; Stratum corneum; enzyme extract of; In acetonitrile; at 35 ℃; for 48h; Product distribution / selectivity; Enzymatic reaction; Darkness;

upstream raw materials:

5-((3R)-1,2-dithiolan-3-yl)pentanoyl chloride

4-hydroxy-3′,5′-diacetyl-trans-stilbene

Downstream raw materials:

acetate

(E)-5-[2-4-(hydroxyphenyl)ethenyl]-1,3-benzenediol

Thioctic acid

Refernces