3-Palmitoylcatechin

Base Information

• Chemical Name: 3-Palmitoylcatechin
• CAS No.: 71634-82-7
• Molecular Formula: C₃₁H₄₄O₇
• Molecular Weight: 528.686
• European Community (EC) Number: 275-739-7
• DSSTox Substance ID: DTXSID40221878
• Nikkaji Number: J298.977H
• Wikidata: Q83099902
• Mol file: 71634-82-7.mol

Synonyms:3-palmitoylcatechin

Chemical Property of 3-Palmitoylcatechin

Chemical Property:

• Vapor Pressure: 6.17E-20mmHg at 25°C
• Boiling Point: 694.6°C at 760 mmHg
• Flash Point: 219.4°C
• Density: 1.2g/cm³
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 17
• Exact Mass: 528.30870374
• Heavy Atom Count: 38
• Complexity: 658

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)O)O)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O
• General Description: (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl palmitate, also known as 3-O-palmitoyl-(+)-catechin or 3-palmitoyl-(+)-catechin, is a lipophilic derivative of (+)-catechin where a palmitoyl (C16) group is esterified at the 3-position. This modification enhances its lipophilicity, which has been studied for potential antimicrobial and antiviral properties, including inhibitory effects on Epstein-Barr virus activation. (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl palmitate belongs to a broader class of acylated catechins investigated for their biological activities, particularly in modulating microbial growth and viral processes.

Technology Process of 3-Palmitoylcatechin

There total 6 articles about 3-Palmitoylcatechin 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: 66.0%

(2R,3R)-3',4',5,7-tetra-O-benzylflavan-3-yl hexadecanoate (909798-95-4,71627-65-1) → (2R,3R)-3',4',5,7-tetrahydroxyflavan-3-yl hexadecanoate (71634-82-7)

Guidance literature:

With hydrogen; palladium dihydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 12h;

DOI:10.1016/j.lfs.2007.01.049

Reference yield: 22.0%

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol (490-46-0) + n-hexadecanoyl chloride (112-67-4) → (2R,3R)-3',4',5,7-tetrahydroxyflavan-3-yl hexadecanoate (71634-82-7)

Guidance literature:

With cerium(III) chloride; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2005.02.042

Reference yield: 7.7%

catechin (154-23-4) + n-hexadecanoyl chloride (112-67-4) → 3-O-palmitoyl-(+)-catechin (71634-82-7)

Guidance literature:

With trifluoroacetic acid; In tetrahydrofuran; for 24h;

DOI:10.1248/cpb.51.1448

upstream raw materials:

catechin

n-hexadecanoyl chloride

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1[2H]-benzopyran-3,5,7-triol

(2R,3R)-3',4',5,7-tetra-O-benzylflavan-3-yl hexadecanoate

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