ITI-722

Base Information

• Chemical Name: ITI-722
• CAS No.: 313368-91-1
• Molecular Formula: C24H28FN3O
• Molecular Weight: 393.504
• Mol file: 313368-91-1.mol

Synonyms:ITI-722;Lumateperone

Chemical Property of ITI-722

Chemical Property:

• Boiling Point: 556.4±50.0 °C(Predicted)
• PKA: 9.10±0.20(Predicted)
• PSA: 26.79000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 3.98440

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Description: Lumateperone is a novel antipsychotic agent with a unique mechanism of action with high 5-hydroxytryptamine 2A(5-HT2A) blocking activity. A Phase 2 study in treatment of insomnia revealed strong evidence of efficacy, with no impairment of next-day cognition.
• Uses: Lumateperone was a drug developed for the treatment of schizophrenia. May have applications in bipolar depression.

Technology Process of ITI-722

There total 63 articles about ITI-722 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: 97.0%

C24H28FN3O*2C6H6O3S → 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido-[3’,4’:4,5]-pyrrolo[1,2,3-de]quinoxalin-8-(7H)-yl)-1-(4-fluorophenyl)-1-butanone (313368-91-1)

Guidance literature:

With sodium hydroxide; In water; toluene; for 0.5h; pH=Ca.13;

Reference yield: 90.5%

C22H32N4O2 + 4-flourophenylmagnesium bromide (352-13-6) → 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido-[3’,4’:4,5]-pyrrolo[1,2,3-de]quinoxalin-8-(7H)-yl)-1-(4-fluorophenyl)-1-butanone (313368-91-1)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃;

Reference yield: 84.0%

(6bR,10aS)-3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido-[3’,4’:4,5]-pyrrolo[1,2,3-de]quinoxaline (313368-85-3) + 1-iodo-3-(p-fluorophenylcarbonyl)propane (40862-32-6) → 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido-[3’,4’:4,5]-pyrrolo[1,2,3-de]quinoxalin-8-(7H)-yl)-1-(4-fluorophenyl)-1-butanone (313368-91-1)

Guidance literature:

With caesium carbonate; In acetonitrile; at 20 ℃; for 24h; Reagent/catalyst; Solvent; Temperature;

upstream raw materials:

3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

(6bR,10aS)-3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido-[3’,4’:4,5]-pyrrolo[1,2,3-de]quinoxaline

1,2,3,4-tetrahydroquinoxalin-2-one

Downstream raw materials:

4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-fluorophenyl)-1-butanone toluenesulfonic acid salt

Refernces

• 1、 -. "ORGANIC COMPOUND". Paragraph 098-099. . Retrieved 2020/07/14.
• 2、 -. "SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS". Paragraph 000127-000128. . Retrieved 2020/01/08.