N-De[2-(Methylsulfonyl)ethyl] Lapatinib

Base Information

• Chemical Name: N-De[2-(Methylsulfonyl)ethyl] Lapatinib
• CAS No.: 697299-82-4
• Molecular Formula: C26H20ClFN4O2
• Molecular Weight: 474.922
• Mol file: 697299-82-4.mol

Synonyms:N-De[2-(Methylsulfonyl)ethyl] Lapatinib;[6-(5-AMinoMethylfuran-2-yl)quinazolin-4-yl][3-chloro- 4-(3-fluorobenzyloxy)phenyl]aMine;6-[5-(AMinoMethyl)-2-furanyl]-N-[3-chloro-4-[(3-fluorophenyl)Methoxy]phenyl]-4-quinazolinaMine

Chemical Property of N-De[2-(Methylsulfonyl)ethyl] Lapatinib

Chemical Property:

• Boiling Point: 626.4±55.0 °C(Predicted)
• PKA: 8.83±0.29(Predicted)
• PSA: 86.20000
• Density: 1.376±0.06 g/cm3(Predicted)
• LogP: 7.23690
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)

Purity/Quality:

NLT 98% ^*data from raw suppliers

N-De[2-(methylsulfonyl)ethyl]Lapatinib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A reactive metabolite of Lapatinib (L175800) which is associated with various drug toxicities. Lapatinib is metabolized mainly by P450 3A4 to form O- and N-dealkylated metabolites.

Technology Process of N-De[2-(Methylsulfonyl)ethyl] Lapatinib

There total 2 articles about N-De[2-(Methylsulfonyl)ethyl] Lapatinib 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: 98.0%

(5-{4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenylamino]-quinazolin-6-yl}-furan-2-ylmethyl)-carbamic acid tert-butyl ester (697299-81-3) → [6-(5-Aminomethyl-furan-2-yl)-quinazolin-4-yl]-[3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-amine (697299-82-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

→ [6-(5-Aminomethyl-furan-2-yl)-quinazolin-4-yl]-[3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-amine (697299-82-4)

Guidance literature:

Reference yield:

diphenyl cyanocarbonimidate (84859-47-2) + [6-(5-Aminomethyl-furan-2-yl)-quinazolin-4-yl]-[3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-amine (697299-82-4) → 1-(5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-ylmethyl)-2-phenyl-N-cyanoisourea (697299-83-5)

Guidance literature:

In tetrahydrofuran; isopropyl alcohol; at 20 ℃;

upstream raw materials:

(5-{4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenylamino]-quinazolin-6-yl}-furan-2-ylmethyl)-carbamic acid tert-butyl ester

Downstream raw materials:

1-(5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-ylmethyl)-2-phenyl-N-cyanoisourea

1-(5-{4-[3-chloro-4-(3-fluoro-benzyloxy)-phenylamino]-quinazolin-6-yl}-furan-2-ylmethyl)-2-phenyl-N-cyano isourea

Refernces

• 1、 -. "CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS". Page 29. . Retrieved 2008/06/13.