Flucindole

Base Information

• Chemical Name: Flucindole
• CAS No.: 40594-09-0
• Molecular Formula: C₁₄H₁₆F₂N₂
• Molecular Weight: 250.291
• NSC Number: 292826
• UNII: 5CYU0D0S8M,BT65UC53TM,UYM8M8P5MW
• DSSTox Substance ID: DTXSID40866001
• Nikkaji Number: J16.531J
• Wikipedia: Flucindole
• Wikidata: Q5462612
• NCI Thesaurus Code: C81582
• ChEMBL ID: CHEMBL1882682
• Mol file: 40594-09-0.mol

Synonyms:6,8-difluoro-2,3,4,9-tetrahydro-N,N-dimethyl-1H-carbazole-3-amine;flucindole;flucindole hydrochloride;flucindole monomesylate;flucindole, (+)-isomer;flucindole, (-)-isomer;flucindole, monohydrochloride;flucindole, monohydrochloride, (-)-isomer

Chemical Property of Flucindole

Chemical Property:

• Vapor Pressure: 1.61E-05mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 365.1 °C at 760 mmHg
• Flash Point: 174.6 °C
• PSA: 19.03000
• Density: 1.25 g/cm³
• LogP: 2.86500
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.12815484
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Flucindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1CCC2=C(C1)C3=C(N2)C(=CC(=C3)F)F
• Uses: Antipsychotic.

Technology Process of Flucindole

There total 4 articles about Flucindole 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:

2,4-difluorophenylhydrazine (40594-30-7) + (1,4-dioxa-spiro[4.5]dec-8-yl)dimethylamine (176661-76-0) → N,N-dimethyl-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amine (40594-09-0,40594-13-6,60481-01-8)

Guidance literature:

With sulfuric acid; In water; at 95 - 100 ℃;

DOI:10.1016/j.bmcl.2012.06.002

Reference yield:

4-dimethylaminocyclohexanone hydrochloride + (2,4-difluorophenyl)hydrazinium chloride (40594-29-4,51523-79-6) → N,N-dimethyl-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amine (40594-09-0,40594-13-6,60481-01-8)

Guidance literature:

In ethanol; water;

Reference yield:

→ 1-3-(dimethylamino)-6,8-difluoro-1,2,3,4-tetrahydrocarbazole + N,N-dimethyl-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amine (40594-09-0,40594-13-6,60481-01-8)

Guidance literature:

upstream raw materials:

(2,4-difluorophenyl)hydrazinium chloride

2,4-difluorophenylhydrazine

(1,4-dioxa-spiro[4.5]dec-8-yl)dimethylamine

Refernces

• 1、 -. "3-Hydroxy carbazole derivatives". . . Retrieved 2008/06/13.