Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester

Base Information

• Chemical Name: Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester
• CAS No.: 1160221-25-9
• Molecular Formula: C28H26F2N2O5
• Molecular Weight: 508.522
• Mol file: 1160221-25-9.mol

Synonyms:Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester;3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)-t-butylbenzoate;tert-Butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoate

Chemical Property of Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester

Chemical Property:

• Boiling Point: 632.6±55.0 °C(Predicted)
• PKA: 12.84±0.20(Predicted)
• PSA: 86.75000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 6.07710

Purity/Quality:

99.9% ^*data from raw suppliers

tert-Butyl3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester

There total 16 articles about Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester 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%

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane carboxylic acid chloride (1004294-65-8) + tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate (1083057-14-0) → tert-butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoate (1160221-25-9)

Guidance literature:

With dmap; triethylamine; In toluene; for 2h;

Reference yield:

1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarboxylic acid amide + tert-butyl 3-(6-bromo-3-methylpyridin-2-yl)benzoate → tert-butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoate (1160221-25-9)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; caesium carbonate; XPhos; In tert-butyl alcohol; at 27 - 100 ℃; for 38h; Sealed tube; Inert atmosphere;

Reference yield:

tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate (1083057-14-0) → tert-butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoate (1160221-25-9)

Guidance literature:

With dmap; triethylamine; In water; toluene;

upstream raw materials:

1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane carboxylic acid chloride

tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate

tert-butyl 3-(3-methyl-1-oxo-1λ-pyridin-2-yl)benzoate

2-bromo-3-picoline

Downstream raw materials:

Lumacaftor hydrochloride

Lumacaftor