JAK3-IN-1

Base Information

• Chemical Name: JAK3-IN-1
• CAS No.: 1805787-93-2
• Molecular Formula: C₂₆H₃₀ClN₇O₂
• Molecular Weight: 508.023
• Mol file: 1805787-93-2.mol

Synonyms:

Chemical Property of JAK3-IN-1

Chemical Property:

• PKA: 13.48±0.70(Predicted)
• Density: 1.315±0.06 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

JAK3-IN-1 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of JAK3-IN-1

There total 3 articles about JAK3-IN-1 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:

C23H28ClN7O + acryloyl chloride (814-68-6,25189-84-8) → N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide (1805787-93-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at -60 - 20 ℃; for 0.666667h;

DOI:10.1021/acs.jmedchem.5b00710

Reference yield:

2,5-dichloro-N-(3-nitrobenzyl)pyrimidin-4-amine → N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide (1805787-93-2)

Guidance literature:

Multi-step reaction with 3 steps

1: trifluoroacetic acid / iso-butanol / 100 °C

2: hydrogen / methanol / 3 h / 760.05 Torr

3: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.67 h / -60 - 20 °C

With hydrogen; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In methanol; N,N-dimethyl-formamide; iso-butanol;

DOI:10.1021/acs.jmedchem.5b00710

Reference yield:

3-nitrobenzylamine hydrochloride (26177-43-5) → N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide (1805787-93-2)

Guidance literature:

Multi-step reaction with 4 steps

1: N-ethyl-N,N-diisopropylamine / 1,4-dioxane / 20 °C

2: trifluoroacetic acid / iso-butanol / 100 °C

3: hydrogen / methanol / 3 h / 760.05 Torr

4: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.67 h / -60 - 20 °C

With hydrogen; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In 1,4-dioxane; methanol; N,N-dimethyl-formamide; iso-butanol;

DOI:10.1021/acs.jmedchem.5b00710

upstream raw materials:

3-nitrobenzylamine hydrochloride

acryloyl chloride