Illudinine

Base Information

Chemical Name:Illudinine
CAS No.:18500-63-5
Molecular Formula:C16H17NO3
Molecular Weight:271.3111
Hs Code.:
NSC Number:135050
UNII:9AG1G13T0D
DSSTox Substance ID:DTXSID80300136
Nikkaji Number:J16.085G
Wikidata:Q27272273
Metabolomics Workbench ID:108356
Mol file:18500-63-5.mol

Synonyms:illudinine

Suppliers and Price of Illudinine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Illudinine

Chemical Property:

Vapor Pressure:8.36E-10mmHg at 25°C
Boiling Point:474.4°Cat760mmHg
Flash Point:240.7°C
PSA：59.42000
Density:1.228g/cm³
LogP:3.06640
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:271.12084340
Heavy Atom Count:20
Complexity:395

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC2=C(C3=C(C=NC=C3)C(=C2C1)OC)C(=O)O)C
Description A sesquiterpenoid alkaloid found as a metabolite of Clitocybe illudens. On decarboxylation, the methoxyl group is simultaneously cleaved to yield 7: 7- dimethyl-9-hydroxy-6: 7 -dihydro-8H-cyclopenta [g l-isoq uinoline.

Technology Process of Illudinine

There total 10 articles about Illudinine 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: 100.0%

: ethyl 9-methoxy-7,7-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-5-carboxylate

: 18500-63-5
illudinine

Guidance literature:: With potassium hydroxide; In ethanol; for 20h;
DOI:10.1021/jo7020955

Reference yield: 99.0%

: 9-methoxy-7,7-dimethyl-7,8-dihydro-6H-cyclopenta[g]-isoquinoline-5-carbonitrile

: 18500-63-5
illudinine

Guidance literature:: With potassium hydroxide; In ethanol; for 72h; Reflux;
DOI:10.1021/acs.joc.0c01301

Reference yield:

: ethyl 9-bromo-7,7-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline-5-carboxylate

: 18500-63-5
illudinine

Guidance literature:: Multi-step reaction with 3 steps

1: acetylhydroxamic acid; potassium carbonate / dimethyl sulfoxide / 20 h / 80 °C / Sealed tube; Inert atmosphere

2: 2-methyl-propan-1-ol; benzene; hexane / 20 °C

3: potassium hydroxide / ethanol / 20 h / 20 °C

With acetylhydroxamic acid; potassium carbonate; potassium hydroxide; In ethanol; hexane; 2-methyl-propan-1-ol; dimethyl sulfoxide; benzene;
DOI:10.1021/acs.orglett.6b03887