1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one

Base Information

• Chemical Name: 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one
• CAS No.: 1428774-45-1
• Molecular Formula: C19H22ClN7O3
• Molecular Weight: 431.88
• Mol file: 1428774-45-1.mol

Synonyms:1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one;PF-06459988

Chemical Property of 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one

Chemical Property:

• PKA: 11.26±0.50(Predicted)
• PSA: 110.19000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 2.13750

Purity/Quality:

97% ^*data from raw suppliers

PF-06459988 99.49% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one

There total 8 articles about 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one 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: 78.0%

5-chloro-4-(((3R,4R)-4-methoxypyrrolidin-3-yl)methoxy)-N-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine 2,2,2-trifluoroacetate + acryloyl chloride (814-68-6,25189-84-8) → 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (1428774-45-1)

Guidance literature:

5-chloro-4-(((3R,4R)-4-methoxypyrrolidin-3-yl)methoxy)-N-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine 2,2,2-trifluoroacetate; With sodium hydrogencarbonate; In water; ethyl acetate; at 0 ℃; for 0.166667h;

acryloyl chloride; In ethyl acetate; at 20 ℃; for 0.5h;

DOI:10.1021/acs.jmedchem.5b01633

Reference yield:

2,4,5-trichloro-7H-pyrrolo [2,3-d] pyrimidine (1053228-28-6) → 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (1428774-45-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium 2-methylbutan-2-olate / 1,4-dioxane; toluene / 0.5 h / 20 °C

2.1: [2-(di-tert-butylphosphino)-2′,4′,6′-triisopropyl-1,1′-biphenyl][2-((2-aminoethyl)phenyl)]palladium(II) chloride / toluene / 1 h / 90 °C

3.1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C

4.1: sodium hydrogencarbonate / water; ethyl acetate / 0.17 h / 0 °C

4.2: 0.5 h / 20 °C

With [2-(di-tert-butylphosphino)-2′,4′,6′-triisopropyl-1,1′-biphenyl][2-((2-aminoethyl)phenyl)]palladium(II) chloride; potassium 2-methylbutan-2-olate; sodium hydrogencarbonate; trifluoroacetic acid; In 1,4-dioxane; dichloromethane; water; ethyl acetate; toluene; 2.1: |Buchwald-Hartwig Coupling;

DOI:10.1021/acs.jmedchem.5b01633

Reference yield:

(3R,4R)-3-[5-chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester (1428775-92-1) → 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (1428774-45-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C

2.1: sodium hydrogencarbonate / water; ethyl acetate / 0.17 h / 0 °C

2.2: 0.5 h / 20 °C

With sodium hydrogencarbonate; trifluoroacetic acid; In dichloromethane; water; ethyl acetate;

DOI:10.1021/acs.jmedchem.5b01633

upstream raw materials:

2,4,5-trichloro-7H-pyrrolo [2,3-d] pyrimidine

(3R,4R)-3-[5-chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester

acryloyl chloride

(3S,4R)-1-benzyl-4-methoxy-pyrrolidine-3-carboxylic acid methyl ester

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