Skimmianine

Base Information

• Chemical Name: Skimmianine
• CAS No.: 83-95-4
• Molecular Formula: C14H13 N O4
• Molecular Weight: 259.262
• Hs Code.: 2934999090
• NSC Number: 94654,217986
• UNII: 4E1KLC380B
• DSSTox Substance ID: DTXSID90232116
• Nikkaji Number: J4.887I
• Wikipedia: Skimmianine
• Wikidata: Q27108296
• Pharos Ligand ID: G71GFTQRUBTL
• Metabolomics Workbench ID: 67527
• ChEMBL ID: CHEMBL21396
• Mol file: 83-95-4.mol

Synonyms:4,7,8-trimethoxy-furo(2,3-b)quinoline;skimmianine

Chemical Property of Skimmianine

Chemical Property:

• Vapor Pressure: 2.7E-06mmHg at 25°C
• Melting Point: 178°
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 401.6oC at 760 mmHg
• PKA: 7.18±0.40(Predicted)
• Flash Point: 196.7oC
• PSA: 53.72000
• Density: 1.26g/cm3
• LogP: 3.00680
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 259.08445790
• Heavy Atom Count: 19
• Complexity: 314

Purity/Quality:

99%, ^*data from raw suppliers

Skimmianin(4,?7,?8-Trimethoxyfuro[2,?3-?b]?quinoline) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC
• Uses: Skimmianin is an antimicrobial agent extracted from bark Helietta Apiculata Benth (Rutaceae).

Technology Process of Skimmianine

There total 10 articles about Skimmianine 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: 95.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4-methoxyfuro[2,3-b]quinoline-7,8-diol (119188-51-1) → skimmianine (83-95-4)

Guidance literature:

DOI:10.1039/b506944k

Reference yield: 20.0%

4-chloro-7,8-dimethoxy-furo[2,3-b]quinoline (865878-27-9) + sodium methylate (124-41-4) → skimmianine (83-95-4)

Guidance literature:

DOI:10.1039/b506944k

Reference yield:

(+)-4,7-dimethoxy-7-(3-methyl-but-2-enyl)-7H-furo[2,3-b]quinolin-8-one → skimmianine (83-95-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄ / dioxane

2: methanol; diethyl ether / Ambient temperature

With sulfuric acid; In 1,4-dioxane; methanol; diethyl ether;

DOI:10.1007/BF00564966

upstream raw materials:

4,8-Dimethoxy-furo[2,3-b]quinolin-7-ol

dimethyl sulfate

diazomethane

8-hydroxy-4,7-dimethoxyfuranoquinoline

Downstream raw materials:

7-isopentenyloxy-γ-fagarine

4,8-Dimethoxy-furo[2,3-b]quinolin-7-ol

kokusagine

Isoskimmianin

Refernces

New method of synthesis of 5-acetyl-3-cyano-6-methylpyridine-2(1H)-thione and its properties

10.1023/A:1011656605605

The research aimed to resolve inconsistencies in the literature regarding the synthesis of 5-acetyl-3-cyano-6-methylpyridine-2(1H)-thione and to explore new biologically active compounds. The study successfully developed a new method for synthesizing the target compound through the reaction of ethoxymethyleneacetylacetone with cyanothioacetamide in the presence of N-methylmorpholine. The researchers further investigated the alkylation and bromination properties of the synthesized compound and its derivatives. The study concluded that the synthesized compounds and their properties were consistent with physicochemical data and literature values, contributing to the understanding of the chemistry of heterocyclic compounds with potential biological activity.

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