Cobimetinib Fumarate

Base Information

• Chemical Name: Cobimetinib Fumarate
• CAS No.: 1369665-02-0
• Molecular Formula: C25H25F3IN3O6
• Molecular Weight: 1178.6921992
• Mol file: 1369665-02-0.mol

Synonyms:Cobimetinib Fumarate

Chemical Property of Cobimetinib Fumarate

Chemical Property:

• PSA: 139.20000
• LogP: 3.83260

Purity/Quality:

99%+, ^*data from raw suppliers

Cobimetinibhemifumarate ≥99.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cobimetinib Fumarate

There total 17 articles about Cobimetinib Fumarate 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:

[14C]-GDC-0973 (934660-93-2) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → (S)-[3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl][3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl]methanone hemifumarate (1369665-02-0)

Guidance literature:

In water; isopropyl alcohol; at 77 ℃; Large scale;

Reference yield:

2,3,4,-trifluorobenzoic acid (61079-72-9) → (S)-[3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl][3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl]methanone hemifumarate (1369665-02-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: pyridine; oxalyl dichloride / toluene / 2.77 h / 60 - 70 °C

2.1: potassium phosphate / ethanol; water / 0.48 h / 10 - 20 °C / pH 11.9

2.2: 0.53 h / 10 - 20 °C

3.1: acetic acid; hydrogenchloride; palladium 10% on activated carbon; hydrogen / ethanol; water / 12 h / 25 °C / 1500.15 Torr / Inert atmosphere; Autoclave

4.1: lithium hexamethyldisilazane / tetrahydrofuran / 3.47 h / 20 - 30 °C

5.1: water; isopropyl alcohol / 77 °C / Large scale

With pyridine; hydrogenchloride; potassium phosphate; oxalyl dichloride; palladium 10% on activated carbon; hydrogen; acetic acid; lithium hexamethyldisilazane; In tetrahydrofuran; ethanol; water; isopropyl alcohol; toluene;

Reference yield:

2,3,4-trifluoro-benzoyl chloride (157373-08-5) → (S)-[3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl][3-hydroxy-3-(piperidin-2-yl)azetidin-1-yl]methanone hemifumarate (1369665-02-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium phosphate / ethanol; water / 0.48 h / 10 - 20 °C / pH 11.9

1.2: 0.53 h / 10 - 20 °C

2.1: acetic acid; hydrogenchloride; palladium 10% on activated carbon; hydrogen / ethanol; water / 12 h / 25 °C / 1500.15 Torr / Inert atmosphere; Autoclave

3.1: lithium hexamethyldisilazane / tetrahydrofuran / 3.47 h / 20 - 30 °C

4.1: water; isopropyl alcohol / 77 °C / Large scale

With hydrogenchloride; potassium phosphate; palladium 10% on activated carbon; hydrogen; acetic acid; lithium hexamethyldisilazane; In tetrahydrofuran; ethanol; water; isopropyl alcohol;

upstream raw materials:

2,3,4,-trifluorobenzoic acid

2,3,4-trifluoro-benzoyl chloride

[14C]-GDC-0973

(2E)-but-2-enedioic acid

Refernces

• 1、 -. "CRYSTALLINE FUMARATE SALT OF (S)-[3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)PHENYL] [3-HYDROXY-3-(PIPERIDIN-2-YL) AZETIDIN-1-YL]-METHANONE". . . Retrieved 2017/01/26.