Rutacultin

Base Information

• Chemical Name: Rutacultin
• CAS No.: 31526-60-0
• Molecular Formula: C₁₆H₁₈O₄
• Molecular Weight: 274.317
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID00185422
• Nikkaji Number: J20.759D
• Wikidata: Q83056449
• Metabolomics Workbench ID: 46377
• Mol file: 31526-60-0.mol

Synonyms:Rutacultin;31526-60-0;6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one;6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one;Coumarin, 3-(1,1-dimethylallyl)-6,7-dimethoxy-;3-(1,1-Dimethyl-2-propenyl)-6,7-dimethoxy-2H-1-benzopyran-2-one;SCHEMBL18397550;DTXSID00185422;CHEBI:174617;AKOS040753869;3-(1,1-Dimethylallyl)-6,7-dimethoxycoumarin;2H-1-Benzopyran-2-one, 3-(1,1-dimethyl-2-propen-1-yl)-6,7-dimethoxy-;3-(1,1-Dimethyl-2-propenyl)-6,7-dimethoxy-2H-1-benzopyran-2-one, 9CI;NCGC00385637-01!6,7-dimethoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one

Chemical Property of Rutacultin

Chemical Property:

• Vapor Pressure: 8.45E-07mmHg at 25°C
• Boiling Point: 405.9°Cat760mmHg
• Flash Point: 179.1°C
• PSA: 48.67000
• Density: 1.138g/cm³
• LogP: 3.27380
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 274.12050905
• Heavy Atom Count: 20
• Complexity: 424

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=C)C1=CC2=CC(=C(C=C2OC1=O)OC)OC

Technology Process of Rutacultin

There total 1 articles about Rutacultin 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:

→ rutacultin (31526-60-0)

Guidance literature:

Scopoletin 10, Methyljodid;

DOI:10.1016/S0040-4020(01)92484-6

Refernces

10.1016/S0040-4020(01)92484-6

The research aims to elucidate the structures of several natural coumarins found in Ptaeroxylon obliquum (sneezewood) and synthesize them from aesculetin (5). The study confirms the structures of three coumarins (1-3) through UV, NMR, and IR spectroscopy, and demonstrates their interconversion via Claisen rearrangement. The key chemicals involved include aesculetin (5), scopoletin (6), and various derivatives such as 7-mono-ether (8) and 3,3-dimethylallyl bromide. The researchers synthesized coumarin 1 from scopoletin and used pyrolysis to produce obliquetin (2), nieshoutin (3), and an unexpected out-of-ring rearrangement product, 10. Methylation of 10 yielded rutacultin (11). The study concludes that the biogenesis of these coumarins might follow a similar pathway involving Claisen rearrangements, providing valuable insights into the natural synthesis of these compounds and their potential applications.

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