Suberosin

Base Information

• Chemical Name: Suberosin
• CAS No.: 581-31-7
• Molecular Formula: C15H16O3
• Molecular Weight: 244.29
• NSC Number: 31869
• DSSTox Substance ID: DTXSID20206820
• Nikkaji Number: J11.513D
• Wikidata: Q27137382
• Metabolomics Workbench ID: 125570
• ChEMBL ID: CHEMBL1928409
• Mol file: 581-31-7.mol

Synonyms:suberosin

Chemical Property of Suberosin

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Melting Point: 87.5 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.556
• Boiling Point: 393.3 °C at 760 mmHg
• Flash Point: 166 °C
• PSA: 39.44000
• Density: 1.126 g/cm³
• LogP: 3.31030
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.109944368
• Heavy Atom Count: 18
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

Suberosin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C

Technology Process of Suberosin

There total 1 articles about Suberosin 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: 50.0%

Z-4,5-dimethoxy-2-prenyloxycinnamic acid (73490-50-3) → 7-hydroxy-6-methoxy-2H-1-benzopyran-2-one (92-61-5) + Scoparone (120-08-1) + suberosin (581-31-7)

Guidance literature:

With acetic anhydride; In xylene; at 140 ℃; for 4h;

Reference yield: 89.0%

suberosin (581-31-7) → suberosin epoxide (38409-28-8,80368-68-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(01)01355-7

Reference yield:

suberosin (581-31-7) → 7-methoxy-6-(3'-methyl-4'-phenylbut-2'-enyl)coumarin (74794-82-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 0.7 g / SeO₂ / acetic acid / 48 h / Heating

2: 0.12 g / K₂CO₃ / methanol / 2 h / Heating

3: 0.06 g / BF₃*Et₂O, 4A molecular sieves / 48 h / Heating

With selenium(IV) oxide; 4 A molecular sieve; boron trifluoride diethyl etherate; potassium carbonate; In methanol; acetic acid;

DOI:10.1071/CH9800395

upstream raw materials:

Z-4,5-dimethoxy-2-prenyloxycinnamic acid

Downstream raw materials:

suberosin epoxide

(1'E)-6-(3'-hydroxy-3'-methylbut-1'-enyl)-7-methoxycoumarin

isosuberenol

suberenol

Refernces