3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-

Base Information

• Chemical Name: 3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-
• CAS No.: 1246213-41-1
• Molecular Formula: C24H24N2O4
• Molecular Weight: 404.466
• Mol file: 1246213-41-1.mol

Synonyms:3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-

Chemical Property of 3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-

Chemical Property:

• PSA: 91.75000
• LogP: 4.65850
• Storage Temp.: 2-8°C

Purity/Quality:

98.5% ^*data from raw suppliers

IvacaftorCarboxylicAcidLactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ivacaftor Carboxylic Acid Lactone is related to Ivacaftor (I940600), which is used in the treatment of cystic fibrosis.

Technology Process of 3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo-

There total 1 articles about 3-QuinolinecarboxaMide, N-[5-(1,1-diMethylethyl)-2,3-dihydro-3,3-diMethyl-2-oxo-6-benzofuranyl]-1,4-dihydro-4-oxo- 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:

6-amino-5-tert-butyl-3,3-dimethylbenzofuran-2(3H)-one (1246213-40-0) + 4-oxo-1,4-dihydroquinoline-3-carboxylic acid (13721-01-2) → N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (1246213-41-1)

Guidance literature:

4-oxo-1,4-dihydroquinoline-3-carboxylic acid; With HATU; In acetonitrile; at 20 ℃; for 1h;

6-amino-5-tert-butyl-3,3-dimethylbenzofuran-2(3H)-one; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 - 45 ℃; 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) → N-(2-(tert-butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (1246213-23-9)

Guidance literature:

N-(5-tert-butyl-3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; With lithium aluminium tetrahydride; In 2-methyltetrahydrofuran; at 20 ℃;

With Rochelle's salt; In 2-methyltetrahydrofuran; tert-butyl methyl ether; for 0.5h;

With tartaric acid; In water; pH=~ 6 - 7;

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:

6-amino-5-tert-butyl-3,3-dimethylbenzofuran-2(3H)-one

4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Downstream raw materials:

N-(2-(tert-butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-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

Refernces