1256584-74-3

Basic information

• Product Name: tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate
• Synonyms: tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate
• CAS NO: 1256584-74-3
• Molecular Formula: C18H25IO3
• Molecular Weight: 416.29377
• Mol File: 1256584-74-3.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate(1256584-74-3)
• EPA Substance Registry System: tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate(1256584-74-3)

Safety Data

• Hazardous Substances Data: 1256584-74-3(Hazardous Substances Data)

Usage

Description

tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate is a chemical compound that serves as an intermediate in the synthesis of Alectinib (C183360), a highly selective and potent anaplastic lymphoma kinase (ALK) inhibitor. tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate plays a crucial role in the development of pharmaceuticals targeting cancer treatment.

Uses

Used in Pharmaceutical Industry:
tert-butyl 4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate is used as a key intermediate in the synthesis of Alectinib, a medication designed to treat anaplastic large cell lymphoma (ALCL) and non-small cell lung cancer (NSCLC). Its role in the production of Alectinib is vital for developing a potent ALK inhibitor that can effectively block the resistant gatekeeper mutant, leading to a reduction in cell growth and tumor progression.

Upstream product

• 100-41-4 ethylbenzene 
• 40052-13-9 mono-tert-butyl malonate 
• 1256584-73-2 2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid 
• 698394-59-1 methyl 2-(4-ethylphenyl)-2-methyl-propanoate 
• 1247119-83-0 2-(4-ethylphenyl)-2-methyl-propanoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 1256580-46-7 C⁽²⁴⁸⁾H₅₄₀₂ 
• 1256584-75-4 tert-butyl 6-cyano-2-[1-(4-ethyl-3-iodo-phenyl)-1-methyl-ethyl]-1H-indole-3-carboxylate 

Relevant articles and documents

Preparation method of alectinib

The invention provides a preparation method of alectinib. The method comprises the following steps: taking 3-(4-ethylphenyl)-3-methylbutane-2-one as an initial raw material, carrying out an iodinationreaction on the initial raw material and an iodination reagent, and reacting obtained 3-(3-iodo-4-ethylphenyl)-2-methylbutane-2-one with a carbonylation reagent; carrying out a substitution reactionon obtained 4-(3-iodo-4-ethylphenyl)-4-methyl-3-oxovalerate and 4-chloro-3-nitro-benzonitrile in an alkaline environment, carrying out a reduction condensation reaction on obtained 4-(3-iodo-4-ethylphenyl)-2-(2-nitro-4-cyanophenyl)-4-methyl-3-oxovalerate, carrying out a cyclization reaction on obtained 6-cyano-2-(2-(4-ethyl-3-iodophenyl)prop-2-yl)-1H-methyl indole-3-carboxylate, and carrying out asubstitution reaction on obtained 9-ethyl-8-iodo-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile and 4-(4-piperidyl)morpholine to obtain a finished product, namely the alectinib.The preparation method of alectinib has the main beneficial effects that the raw materials are cheap and are easy to obtain, the synthetic route is simple, the synthetic process is green and environmentally friendly, and industrial production is facilitated.

IMPROVED PROCESS FOR THE PREPARATION OF 9-ETHYL-6,6-DIMETHYL-8-[4-(MORPHOLIN-4-YL) PIPERIDIN-1-YL]-11-OXO-6,11-DIHYDRO-5H-BENZO[B]CARBAZOLE-3-CARBONITRILE HYDROCHLORIDE

The present invention relates to novel process for the preparation of 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile hydrochloride compound of formula-1a, represented by the following structural formula: The present invention also provides an improved process for the preparation of tert-butyl-4-(4-ethyl-3-iodophenyl)-4-methyl-3-oxopentanoate having the following structural formula which is useful in the preparation of Alectinib and its pharmaceutical acceptable salts.