1,3,5-Tricaffeoylquinic acid

Base Information

• Chemical Name: 1,3,5-Tricaffeoylquinic acid
• CAS No.: 1073897-80-9
• Molecular Formula: C₃₄H₃₀O₁₅
• Molecular Weight: 678.603
• Mol file: 1073897-80-9.mol

Synonyms:

Chemical Property of 1,3,5-Tricaffeoylquinic acid

Chemical Property:

• Boiling Point: 960.4±65.0 °C(Predicted)
• PKA: 2.14±0.50(Predicted)
• Density: 1?+-.0.1 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

1,3,5-Tricaffeoylquinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1,?3,?5-?Tricaffeoylquinic Acid is a caffeoylquinic acid displaying antiplasmodial activity. Obtained from the Xanthium cavanillesii fruits.

Technology Process of 1,3,5-Tricaffeoylquinic acid

There total 2 articles about 1,3,5-Tricaffeoylquinic acid 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:

C37H30O15 → (-)-1,3,5-tri-O-caffeoylquinic acid (1073897-80-9)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0029-1217183

Reference yield:

D-(-)-quinic acid (77-95-2) + 3,4-diacetoxycinnamoyl chloride (98631-72-2,82592-68-5) → (-)-1,3,5-tri-O-caffeoylquinic acid (1073897-80-9) + 1,4,5-tri-O-caffeoylquinic acid (1073897-83-2) + 1,3,4-tricaeoylquinic acid (1073897-77-4) + 3,4,5-tri-O-caffeoyl-quinic acid (86632-03-3)

Guidance literature:

D-(-)-quinic acid; 3,4-diacetoxycinnamoyl chloride; With dmap; triethylamine; In dichloromethane; at 20 ℃; for 6h;

With hydrogenchloride; water; for 3h; pH=1;

DOI:10.1021/jf202185m

upstream raw materials:

D-(-)-quinic acid

3,4-diacetoxycinnamoyl chloride