5-BROMO-1-CHLOROISOQUINOLINE

Base Information

• Chemical Name: 5-BROMO-1-CHLOROISOQUINOLINE
• CAS No.: 34551-41-2
• Molecular Formula: C9H5BrClN
• Molecular Weight: 242.502
• Hs Code.: 2933499090
• Mol file: 34551-41-2.mol

Synonyms:1-Chloro-5-bromoisoquinoline;

Chemical Property of 5-BROMO-1-CHLOROISOQUINOLINE

Chemical Property:

• Boiling Point: 349.5 °C at 760 mmHg
• PKA: 1.06±0.43(Predicted)
• Flash Point: 165.2 °C
• PSA: 12.89000
• Density: 1.673 g/cm³
• LogP: 3.65070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-1-chloroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-BROMO-1-CHLOROISOQUINOLINE

There total 4 articles about 5-BROMO-1-CHLOROISOQUINOLINE 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: 98.0%

5-bromoisoquinolin-2-ium-2-olate (223671-17-8) → 5-bromo-1-chloroisoquinoline (34551-41-2)

Guidance literature:

With trichlorophosphate; In dichloromethane; at 45 ℃; Inert atmosphere;

Reference yield:

5-bromoisoquinoline (34784-04-8) → 5-bromo-1-chloroisoquinoline (34551-41-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / chloroform / 1 h / 20 °C

2: trichlorophosphate / chloroform / 50 °C

With 3-chloro-benzenecarboperoxoic acid; trichlorophosphate; In chloroform;

Reference yield:

Br(1-)*C9H5ClN3(1+) → 5-bromo-1-chloroisoquinoline (34551-41-2)

Guidance literature:

With hydrogen bromide; copper(I) bromide; In water; at 70 - 80 ℃; for 1.5h;

upstream raw materials:

5-bromoisoquinolin-2-ium-2-olate

5-bromoisoquinoline

Downstream raw materials:

5-bromoisoquinolin-1-ylamine

5-bromo-1-(quinolin-6-yl)aminoisoquinoline

(5-bromoisoquinolin-1-yl)-[3-(2,3-dimethyl-3H-imidazol-4-yl)phenyl]amine

(5-bromoisoquinolin-1-yl)-[3-(pyrimidin-5-yl)phenyl]amine

Refernces

• 1、 -. "ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM". Paragraph 0203; 0204; 0205; 0206. . Retrieved 2017/06/12.
• 2、 Wang, Dong,Jia, Hailing,Wang, Wuchang,Wang, Zhe. "A practical and mild chlorination of fused heterocyclic N-oxides". supporting information. p. 7130 - 7132. Retrieved 2015/02/02.