Suberenol

Base Information

• Chemical Name: Suberenol
• CAS No.: 38409-30-2
• Molecular Formula: C₁₅H₁₆O₄
• Molecular Weight: 260.29
• UNII: TT3D5CTA3P
• DSSTox Substance ID: DTXSID701318629
• Nikkaji Number: J1.412.308C,J103.428F
• Wikidata: Q76305738
• Metabolomics Workbench ID: 44508
• Mol file: 38409-30-2.mol

Synonyms:Suberenol;(E)-Suberenol;18529-47-0;6-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one;2H-1-Benzopyran-2-one, 6-(3-hydroxy-3-methyl-1-butenyl)-7-methoxy-, (E)-;Coumarin, 6-(3-hydroxy-3-methyl-1-butenyl)-7-methoxy-, (E)-;6-[(E)-3-Hydroxy-3-methyl-1-butenyl]-7-methoxy-2H-1-benzopyran-2-one;trans-Suberenol;CHEBI:174410;LNFVZUMSDAIQDQ-VOTSOKGWSA-N;DTXSID701318629;6-(3-Hydroxy-3-methyl-1-butenyl)-7-methoxy-(E)-Coumarin;6-(3-Hydroxy-3-methyl-1-butenyl)-7-methoxy-2H-1-benzopyran-2-one;6-[(1E)-3-Hydroxy-3-methyl-1-butenyl]-7-methoxy-2H-chromen-2-one #;6-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-7-methoxy-2H-chromen-2-one

Chemical Property of Suberenol

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 260.10485899
• Heavy Atom Count: 19
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O
• Isomeric SMILES: CC(C)(/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O

Technology Process of Suberenol

There total 1 articles about Suberenol 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:

suberosin (581-31-7) → suberenol (38409-30-2) + isosuberenol (56881-04-0,65451-76-5) + 6-(2',3'-epoxy-1'-hydroxy-3'methylbut)-7-methoxycoumarin (55051-72-4,74841-73-9) + crenulatin (4444-74-0)

Guidance literature:

With oxygen; methylene blue; In chloroform; for 100h; Product distribution; Mechanism; Irradiation; other suberosin derivatives; var. solvents, sensitizers and oxidants;

DOI:10.1071/CH9800395

upstream raw materials:

suberosin

Refernces