H3B-6527

Base Information

• Chemical Name: H3B-6527
• CAS No.: 1702259-66-2
• Molecular Formula: C29H34Cl2N8O4
• Molecular Weight: 629.54
• Mol file: 1702259-66-2.mol

Synonyms:H3B-6527;N-(2-((6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)acrylamide

Chemical Property of H3B-6527

Chemical Property:

• Boiling Point: 832.1±65.0 °C(Predicted)
• PKA: 11.00±0.70(Predicted)
• PSA: 124.19000
• Density: 1.373±0.06 g/cm3(Predicted)
• LogP: 5.70080

Purity/Quality:

98% min ^*data from raw suppliers

H3B-6527 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of H3B-6527

There total 17 articles about H3B-6527 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:

C30H36Cl2N8O5 → N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}prop-2-enamide (1702259-66-2)

Guidance literature:

With ammonium hydroxide; In dichloromethane; water; at 0 - 25 ℃;

Reference yield:

1-(6-(2-amino-4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylurea + acryloyl chloride (814-68-6,25189-84-8) → N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}prop-2-enamide (1702259-66-2)

Guidance literature:

In tetrahydrofuran; at -10 ℃; for 1h;

Reference yield:

4-Bromo-2-nitroaniline (875-51-4) → N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}prop-2-enamide (1702259-66-2)

Guidance literature:

Multi-step reaction with 7 steps

1.1: tetrahydrofuran / Reflux

2.1: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 4 h / 100 °C

3.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 20 °C

4.1: 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 1 h / 100 °C / Enzymatic reaction

5.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 - 20 °C

5.2: 2 h / 0 - 20 °C

6.1: hydrogen / tetrahydrofuran; methanol; water / 3 h / -10 °C / 760.05 Torr

7.1: tetrahydrofuran / 1 h / -10 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; hydrogen; sodium hydride; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water; toluene;

upstream raw materials:

2,4-dichloro-3-isocyanato-1,5-methoxy-4-methylbenzene

6-chloro-N-methylpyrimidin-4-amine

acryloyl chloride

N-(3,5-dimethoxy-phenyl)-acetamide

Refernces

• 1、 -. "PYRIMIDINE FGFR4 INHIBITORS". . . Retrieved 2015/05/05.