3-(5-broMo-2-chloropyriMidin-4-yl)-1-(phenylsulfonyl)-1H-indole

Base Information

• Chemical Name: 3-(5-broMo-2-chloropyriMidin-4-yl)-1-(phenylsulfonyl)-1H-indole
• CAS No.: 1624262-44-7
• Molecular Formula: C18H11BrClN3O2S
• Molecular Weight: 448.72084
• Mol file: 1624262-44-7.mol

Synonyms:3-(5-broMo-2-chloropyriMidin-4-yl)-1-(phenylsulfonyl)-1H-indole

Chemical Property of 3-(5-broMo-2-chloropyriMidin-4-yl)-1-(phenylsulfonyl)-1H-indole

Chemical Property:

• Boiling Point: 668.1±65.0 °C(Predicted)
• PKA: -3.21±0.40(Predicted)
• Density: 1.65±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

3-(5-Bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(5-broMo-2-chloropyriMidin-4-yl)-1-(phenylsulfonyl)-1H-indole

There total 3 articles about 3-(5-broMo-2-chloropyriMidin-4-yl)-1-(phenylsulfonyl)-1H-indole 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: 69.0%

3-(5-Bromo-2-chloropyrimidin-4-yl)-1H-indole (1356962-87-2) + benzenesulfonyl chloride (98-09-9) → 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (1624262-44-7)

Guidance literature:

3-(5-Bromo-2-chloropyrimidin-4-yl)-1H-indole; With sodium t-butanolate; In tetrahydrofuran; at 0 ℃; for 0.5h;

benzenesulfonyl chloride; In tetrahydrofuran; at 0 ℃; for 0.5h;

Reference yield: 39.0%

2,4-dichloro-5-bromopyrimidine (36082-50-5) + 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid (129271-98-3) → 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (1624262-44-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In water; acetonitrile; Inert atmosphere; Reflux;

DOI:10.1021/jacs.5b07090

Reference yield:

indole (120-72-9) → 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole (1624262-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 0.5 h / 80 °C

1.2: 18 h / 80 °C

2.1: sodium t-butanolate / tetrahydrofuran / 0.5 h / 0 °C

2.2: 0.5 h / 0 °C

With aluminum (III) chloride; sodium t-butanolate; In tetrahydrofuran; 1,2-dichloro-ethane;

upstream raw materials:

2,4-dichloro-5-bromopyrimidine

1-(phenylsulfonyl)-1H-indol-3-ylboronic acid

3-(5-Bromo-2-chloropyrimidin-4-yl)-1H-indole

benzenesulfonyl chloride