Gevotroline

Base Information

• Chemical Name: Gevotroline
• CAS No.: 107266-06-8
• Molecular Formula: C₁₉H₂₀FN₃
• Molecular Weight: 309.386
• Hs Code.: 2933990090
• UNII: 7SZ6A2091Q
• DSSTox Substance ID: DTXSID00147989
• Nikkaji Number: J361.779C
• Wikipedia: Gevotroline
• Wikidata: Q5554929
• NCI Thesaurus Code: C167045
• ChEMBL ID: CHEMBL51910
• Mol file: 107266-06-8.mol

Synonyms:gevotroline;gevotroline monohydrochloride;WY 47384;WY-47384

Chemical Property of Gevotroline

Chemical Property:

• Vapor Pressure: 4.73E-10mmHg at 25°C
• Boiling Point: 498°Cat760mmHg
• Flash Point: 255°C
• PSA: 31.92000
• Density: 1.227g/cm³
• LogP: 3.63080
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 309.16412581
• Heavy Atom Count: 23
• Complexity: 391

Purity/Quality:

97% ^*data from raw suppliers

GEVOTROLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=C1NC3=C2C=C(C=C3)F)CCCC4=CN=CC=C4
• Uses: Antipsychotic.

Technology Process of Gevotroline

There total 3 articles about Gevotroline 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-carbethoxy-8-fluoro-2,3,4,5-tetrahydro-1H-pyrido<4,3-b>indole (58038-66-7) → 8-fluoro-2,3,4,5-tetrahydro-2-[3-(3-pyridinyl)propyl]1H-pyrido[4,3-b]indole (107266-06-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / KOH / ethanol; H₂O; methanol / Heating

2: potassium carbonate, cesium carbonate / dimethylformamide / Ambient temperature

With potassium hydroxide; potassium carbonate; caesium carbonate; In methanol; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1021/jm00393a023

Reference yield:

3-(3-bromopropyl)pyridine (109839-74-9) + 8-fluoro-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole (39876-39-6) → 8-fluoro-2,3,4,5-tetrahydro-2-[3-(3-pyridinyl)propyl]1H-pyrido[4,3-b]indole (107266-06-8)

Guidance literature:

With potassium carbonate; caesium carbonate; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1021/jm00393a023

Reference yield:

→ 8-fluoro-2,3,4,5-tetrahydro-2-[3-(3-pyridinyl)propyl]1H-pyrido[4,3-b]indole (107266-06-8)

Guidance literature:

upstream raw materials:

3-(3-bromopropyl)pyridine

8-fluoro-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole

2-carbethoxy-8-fluoro-2,3,4,5-tetrahydro-1H-pyrido<4,3-b>indole