N-Boc-N,N-didesethyl Sunitinib

Base Information

• Chemical Name: N-Boc-N,N-didesethyl Sunitinib
• CAS No.: 1227960-76-0
• Molecular Formula: C₂₃H₂₇FN₄O₄
• Molecular Weight: 442.49
• Mol file: 1227960-76-0.mol

Synonyms:N-Boc-N,N-didesethyl Sunitinib;N-(N'-Boc-2-aMinoethyl)-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)Methyl]-2,4-diMethyl-1H-pyrrole-3-carboxaMide Hydrochloride

Chemical Property of N-Boc-N,N-didesethyl Sunitinib

Chemical Property:

• PSA: 122.79000
• LogP: 4.38210
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-N,N-didesethyl sunitinib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Protected metabolite of Sunitinib (S820000).

Technology Process of N-Boc-N,N-didesethyl Sunitinib

There total 7 articles about N-Boc-N,N-didesethyl Sunitinib 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: 100.0%

(Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carbonyl chloride (1158560-66-7) + N-BOC-1,2-diaminoethane (57260-73-8) → tert-butyl (Z)-(2-(5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)ethyl)carbamate (1227960-76-0)

Guidance literature:

In tetrahydrofuran; at 20 - 50 ℃; for 1h;

DOI:10.1016/j.ejmech.2020.112316

Reference yield: 100.0%

→ tert-butyl (Z)-(2-(5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)ethyl)carbamate (1227960-76-0)

Guidance literature:

In tetrahydrofuran; at 50 ℃; for 1h;

Reference yield: 78.0%

N-BOC-1,2-diaminoethane (57260-73-8) + 5-((Z)-(5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (356068-93-4) → tert-butyl (Z)-(2-(5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamido)ethyl)carbamate (1227960-76-0)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

upstream raw materials:

5-fluoroindol-2(3H)-one

5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

5-((Z)-(5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

(Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carbonyl chloride

Downstream raw materials:

(Z)-N-(2-aminoethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide