Unguinol

Base Information

• Chemical Name: Unguinol
• CAS No.: 36587-59-4
• Molecular Formula: C19H18 O5
• Molecular Weight: 326.349
• UNII: 9N9VTB9LFD
• ChEMBL ID: CHEMBL4861279
• Metabolomics Workbench ID: 108046,200721
• Nikkaji Number: J19.166C
• Mol file: 36587-59-4.mol

Synonyms:unguinol

Chemical Property of Unguinol

Chemical Property:

• PSA: 75.99000
• LogP: 4.46270
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 326.11542367
• Heavy Atom Count: 24
• Complexity: 516

Purity/Quality:

≥95% ^*data from raw suppliers

Unguinol ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C1=CC(=C(C2=C1OC3=C(C(=CC(=C3)O)C)C(=O)O2)C)O
• Isomeric SMILES: C/C=C(\C)/C1=CC(=C(C2=C1OC3=C(C(=CC(=C3)O)C)C(=O)O2)C)O

Technology Process of Unguinol

There total 1 articles about Unguinol 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:

→ unguinol (32164-10-6,36587-59-4)

Guidance literature:

Biosynthese mit Aspergillus nidulans aus L-Isoleucin;

Reference yield: 100.0%

Unguinol (36587-59-4) → 1′,2′-dihydrounguinol (67097-22-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 25 ℃; for 14h;

DOI:10.1039/d0ob02460k

Reference yield: 56.0%

Unguinol (36587-59-4) + 1-(bromomethyl)-2,4-difluorobenzene (23915-07-3) → 3-O-(2,4-difluorobenzyl)unguinol

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 50 ℃; for 12h;

DOI:10.1039/d0ob02460k

Downstream raw materials:

1′,2′-dihydrounguinol