1H-Indole-1-ethanol, 5-aMino-2-[1,1-diMethyl-2-(phenylMethoxy)ethyl]-6-fluoro-α-[(phenylMethoxy)Methyl]-, (αR)-

Base Information

• Chemical Name: 1H-Indole-1-ethanol, 5-aMino-2-[1,1-diMethyl-2-(phenylMethoxy)ethyl]-6-fluoro-α-[(phenylMethoxy)Methyl]-, (αR)-
• CAS No.: 1294504-67-8
• Molecular Formula: C₂₉H₃₃FN₂O₃
• Molecular Weight: 476.591
• Mol file: 1294504-67-8.mol

Synonyms:(2R)-1-{5-amino-2-[1-(benzyloxy)-2-methylpropan-2-yl]-6-fluoro-1H-indol-1-yl}-3-(benzyloxy)propan-2-ol

Chemical Property of 1H-Indole-1-ethanol, 5-aMino-2-[1,1-diMethyl-2-(phenylMethoxy)ethyl]-6-fluoro-α-[(phenylMethoxy)Methyl]-, (αR)-

Chemical Property:

• Boiling Point: 648.5±55.0 °C(Predicted)
• PKA: 13.99±0.20(Predicted)
• Density: 1.16±0.1 g/cm3(Predicted)
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Very Slightly)

Purity/Quality:

99%, ^*data from raw suppliers

(R)-1-(5-Amino-2-(1-(benzyloxy)-2-methylpropan-2-yl)-6-fluoro-1H-indol-1-yl)-3-(benzyloxy)propan-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (R)-1-(5-Amino-2-(1-(benzyloxy)-2-methylpropan-2-yl)-6-fluoro-1H-indol-1-yl)-3-(benzyloxy)propan-2-ol is a Tezacaftor (T321510) intermediate. Tezacaftor is used as a combination therapy with Ivacaftor for the treatment of patients with cystic fibrosis.

Technology Process of 1H-Indole-1-ethanol, 5-aMino-2-[1,1-diMethyl-2-(phenylMethoxy)ethyl]-6-fluoro-α-[(phenylMethoxy)Methyl]-, (αR)-

There total 15 articles about 1H-Indole-1-ethanol, 5-aMino-2-[1,1-diMethyl-2-(phenylMethoxy)ethyl]-6-fluoro-α-[(phenylMethoxy)Methyl]-, (αR)- 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: 61.4%

(R)-1-((4-amino-2-(4-(benzyloxy)-3,3-dimethylbut-1-yn-1-yl)-5-fluorophenyl)amino)-3-(benzyloxy)propan-2-ol (1294504-66-7) → (2R)-1-{5-amino-2-[1-(benzyloxy)-2-methylpropan-2-yl]-6-fluoro-1H-indol-1-yl}-3-(benzyloxy)propan-2-ol (1294504-67-8)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); copper(l) iodide; In acetonitrile; at 80 ℃; for 3h; Inert atmosphere;

Reference yield: 27.0%

(R)-1-((4-amino-2-(4-(benzyloxy)-3,3-dimethylbut-1-yn-1-yl)-5-fluorophenyl)amino)-3-(benzyloxy)propan-2-ol (1294504-66-7) + dichlorobis(acetonitrile)palladium(II) → (2R)-1-{5-amino-2-[1-(benzyloxy)-2-methylpropan-2-yl]-6-fluoro-1H-indol-1-yl}-3-(benzyloxy)propan-2-ol (1294504-67-8) + N-benzylglycolated-5-amino-2-(2-benzyloxy-1,1-dimethylethyl)-6-fluoroindole

Guidance literature:

With CuI; In n-heptane; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; ethyl acetate; acetonitrile;

Reference yield:

3-fluoro-4-nitroaniline (2369-13-3) → (2R)-1-{5-amino-2-[1-(benzyloxy)-2-methylpropan-2-yl]-6-fluoro-1H-indol-1-yl}-3-(benzyloxy)propan-2-ol (1294504-67-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: N-Bromosuccinimide / ethyl acetate / 22 °C

2.1: Zn(ClO₄)₂·2H₂O / toluene / 20 - 80 °C / Molecular sieve

2.2: 30 °C / 750.08 Torr

3.1: sodium hydrogencarbonate / ethyl acetate

3.2: 20 °C

3.3: 80 °C / Inert atmosphere

4.1: dichloro bis(acetonitrile) palladium(II) / acetonitrile / 20 - 80 °C / Inert atmosphere

With N-Bromosuccinimide; sodium hydrogencarbonate; dichloro bis(acetonitrile) palladium(II); Zn(ClO₄)₂·2H₂O; In ethyl acetate; toluene; acetonitrile;

upstream raw materials:

3-fluoro-4-nitroaniline

2-bromo-5-fluoro-4-nitroaniline

(4-(benzyloxy)-3,3-dimethylbut-1-ynyl)trimethylsilane

[{(2,2-dimethylbut-3-yn-1-yl)oxy}methyl]benzene

Downstream raw materials:

N-{1-[(2R)-3-(benzyloxy)-2-hydroxypropyl]-2-[1-(benzyloxy)-2-methylpropan-2-yl]-6-fluoro-1H-indol-5-yl}-1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

(R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide

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