Dehydrodicentrine

Base Information

• Chemical Name: Dehydrodicentrine
• CAS No.: 19843-03-9
• Molecular Formula: C20H19NO4
• Molecular Weight: 337.3692
• DSSTox Substance ID: DTXSID20173588
• Nikkaji Number: J692.286D
• Wikidata: Q72464873
• Metabolomics Workbench ID: 135567
• ChEMBL ID: CHEMBL456942
• Mol file: 19843-03-9.mol

Synonyms:Dehydrodicentrine;19843-03-9;Dicentrine, dehydro-;5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-10,11-dimethoxy-7-methyl-;16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene;6,7-Dihydro-10,11-dimethoxy-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline;5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7-dihydro-10,11-dimethoxy-7-methyl- (9CI);5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7-dihydro-10,11-diMethoxy-7-Methyl-;CHEMBL456942;DTXSID20173588;AKOS030573622;FT-0701459

Chemical Property of Dehydrodicentrine

Chemical Property:

• Vapor Pressure: 4.8E-12mmHg at 25°C
• Melting Point: 218℃
• Boiling Point: 547.6°C at 760 mmHg
• Flash Point: 167.2°C
• PSA: 40.16000
• Density: 1.312g/cm³
• LogP: 3.79620
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 337.13140809
• Heavy Atom Count: 25
• Complexity: 502

Purity/Quality:

95%-98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C4=C5C=C(C(=CC5=CC1=C24)OC)OC)OCO3
• Uses: Dehydrodicentrine is an alkaloid with acetylcholinesterase inhibitory activity.

Technology Process of Dehydrodicentrine

There total 5 articles about Dehydrodicentrine 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:

N-carbethoxy-6a,7-didehydronordicentrine (49715-56-2) → Dehydrodicentrin (19843-03-9)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In diethyl ether; Ambient temperature;

DOI:10.1016/S0040-4020(01)93344-7

Reference yield:

dicentrine (26110-43-0) → Dehydrodicentrin (19843-03-9)

Guidance literature:

With iodine; sodium acetate; In 1,4-dioxane; Heating;

DOI:10.1016/S0040-4020(01)88952-3

Reference yield:

(-)-duguetine (31984-61-9,105814-54-8) → Dehydrodicentrin (19843-03-9)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 1.5h;

upstream raw materials:

N-carbethoxy-6a,7-didehydronordicentrine

dicentrine

(S)-dicentrine

(-)-duguetine

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