Loureirin A

Base Information

• Chemical Name: Loureirin A
• CAS No.: 119425-89-7
• Molecular Formula: C17H18O4
• Molecular Weight: 286.325
• Hs Code.: 29145090
• DSSTox Substance ID: DTXSID201318286
• Nikkaji Number: J2.538.191B
• Wikidata: Q72487734
• Metabolomics Workbench ID: 27077
• ChEMBL ID: CHEMBL253779
• Mol file: 119425-89-7.mol

Synonyms:loureirin A

Chemical Property of Loureirin A

Chemical Property:

• Vapor Pressure: 8.41E-10mmHg at 25°C
• Boiling Point: 479.1°C at 760 mmHg
• PKA: 8.08±0.15(Predicted)
• Flash Point: 175.8°C
• PSA: 55.76000
• Density: 1.170
• LogP: 3.22490
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 286.12050905
• Heavy Atom Count: 21
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

Loureirin A ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC
• Uses: Loureirin A is a component of traditional Chinese medicine which helps combat neurodegenerative diseases. Extracted from the red resin of Dracaena cochinchinensis S.C Chen, known as Dragon’s Blood.

Technology Process of Loureirin A

There total 4 articles about Loureirin A 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: 68.0%

2,4-Dimethoxybenzaldehyde (613-45-6) + 4-Hydroxyacetophenone (99-93-4) → 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone (119425-89-7)

Guidance literature:

With hydrogen; tetra-(n-butyl)ammonium iodide; sodium hydroxide; In water; for 24h; under 15001.5 Torr; Green chemistry;

DOI:10.1002/cctc.201801987

Reference yield:

3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one (376624-57-6) → 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone (119425-89-7)

Guidance literature:

With triethylsilane; chloro-trimethyl-silane; at 20 ℃; Acidic conditions;

Reference yield:

platinum (7440-06-4) + (E)-3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (151135-64-7) → 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone (119425-89-7)

Guidance literature:

In ethanol;

upstream raw materials:

platinum

(E)-3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

2,4-Dimethoxybenzaldehyde

4-Hydroxyacetophenone