Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-

Base Information

• Chemical Name: Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-
• CAS No.: 1246213-24-0
• Molecular Formula: C24H26N2O5
• Molecular Weight: 422.481
• Mol file: 1246213-24-0.mol

Synonyms:Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-;Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-alpha,alpha-diMethyl-;2-(5-tert-butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid

Chemical Property of Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-

Chemical Property:

• PSA: 122.98000
• LogP: 4.52970
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

95+% ^*data from raw suppliers

Ivacaftor Carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ivacaftor Carboxylic Acid is an impurity of Ivacaftor (I940600); a drug used in the treatment of cystic fibrosis.

Technology Process of Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl-

There total 3 articles about Benzeneacetic acid, 4-[[(1,4-dihydro-4-oxo-3-quinolinyl)carbonyl]aMino]-5-(1,1-diMethylethyl)-2-hydroxy-α,α-diMethyl- 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:

ivacaftor (873054-44-5,1174930-71-2) → N-(2-(tert-butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (1246213-23-9) + 2-(5-tert-butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid (1246213-24-0)

Guidance literature:

With Streptomyces rimosus (DSM 40260); In N,N-dimethyl-formamide; at 30 ℃; for 24h; pH=7.0; potassium phosphate buffer; Enzymatic reaction;

Reference yield:

N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide → 2-(5-tert-butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid (1246213-24-0)

Guidance literature:

N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; With sodium hydroxide; In methanol; at 0 - 40 ℃;

With hydrogenchloride; In water; pH=1 - 2; Product distribution / selectivity;

Reference yield:

N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (1246213-41-1) → 2-(5-tert-butyl-2-hydroxy-4-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl)-2-methylpropanoic acid (1246213-24-0)

Guidance literature:

N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; With sodium hydroxide; In methanol; at 0 - 40 ℃;

With hydrogenchloride; In water; pH=1 - 2; Product distribution / selectivity;

upstream raw materials:

ivacaftor

N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Refernces

• 1、 -. "PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR". Page/Page column 91-93. . Retrieved 2010/10/03.