GRANISETRON IMPURITY B

Base Information

• Chemical Name: GRANISETRON IMPURITY B
• CAS No.: 107007-95-4
• Molecular Formula: C17H22 N4 O
• Molecular Weight: 298.388
• Hs Code.: 2933399090
• Mol file: 107007-95-4.mol

Synonyms:1H-Indazole-3-carboxamide,N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-, endo-; 9-Azabicyclo[3.3.1]nonane,1H-indazole-3-carboxamide deriv.

Chemical Property of GRANISETRON IMPURITY B

Chemical Property:

• Melting Point: 217-219℃
• PSA: 61.02000
• LogP: 2.63680
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)

Purity/Quality:

98%Min ^*data from raw suppliers

1-DesmethylGranisetron(GranisetronImpurityB) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Granisetron Impurity B having 5-HT antagonist activity.

Technology Process of GRANISETRON IMPURITY B

There total 6 articles about GRANISETRON IMPURITY B 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%

endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (76272-41-8,141650-55-7,76272-56-5) + 1H-Indazole-3-carboxylic acid (4498-67-3) → endo-N-(9-methyl-9-azabicyclo<3.3.1>nonan-3-yl)-1H-indazole-3-carboxamide (107007-95-4)

Guidance literature:

1H-Indazole-3-carboxylic acid; With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h;

endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/jm901827x

Reference yield: 67.0%

C17H25N3O → endo-N-(9-methyl-9-azabicyclo<3.3.1>nonan-3-yl)-1H-indazole-3-carboxamide (107007-95-4)

Guidance literature:

With tert.-butylnitrite; acetic acid; In acetonitrile; at 20 - 25 ℃; for 2h; Flow reactor;

Reference yield: 10.0%

endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (76272-41-8,141650-55-7,76272-56-5) + diindazolo<2,3-a,2',3'-d>pyrazine-7,14-dione (115660-68-9) → endo-N-(9-methyl-9-azabicyclo<3.3.1>nonan-3-yl)-1H-indazole-3-carboxamide (107007-95-4)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1021/jm00169a016

upstream raw materials:

endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

diindazolo<2,3-a,2',3'-d>pyrazine-7,14-dione

1H-Indazole-3-carboxylic acid

2-(2-nitrophenyl)acetic acid

Downstream raw materials:

granisetron

Refernces

• 1、 -. "Preparation methods of 1H-indazol-3-carboxylic acid derivative, granisetron and lonidamine". . . Retrieved 2021/05/12.
• 2、 Bermudez, Jose,Fake, Charles S.,Joiner, Graham F.,Joiner, Karen A.,King, Frank D.,et al.. "5-Hydroxytryptamine (5-HT3) Receptor Antagonists. 1. Indazole and Indolizine-3-carboxylic Acid Derivatives". . p. 1924 - 1929. Retrieved 2007/10/02.