Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester

Base Information

• Chemical Name: Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester
• CAS No.: 1241-87-8
• Molecular Formula: C₁₆H₁₈O₉
• Molecular Weight: 354.314
• Mol file: 1241-87-8.mol

Synonyms:Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester;1241-87-8;1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid;SCHEMBL6240053

Chemical Property of Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester

Chemical Property:

• Vapor Pressure: 4.66E-17mmHg at 25°C
• Refractive Index: 1.69
• Boiling Point: 636.2 °C at 760 mmHg
• PKA: 2.94±0.50(Predicted)
• Flash Point: 234.5 °C
• PSA: 164.75000
• Density: 1.65 g/cm³
• LogP: -0.64590
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 354.09508215
• Heavy Atom Count: 25
• Complexity: 520

Purity/Quality:

98% ^*data from raw suppliers

1-caffeoylquinic?acid(NewProduct) 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O
• Isomeric SMILES: C1C(C(C(CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O

Technology Process of Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester

There total 1 articles about Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester 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: 59.97%

C19H22O9 → (1S,3R,4S,5R)-1-[[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4,5-trihydroxycyclohexane-1-carboxylic acid (22172-20-9,1241-87-8)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 17h;

Refernces