6-Bromo-1-chloroisoquinoline

Base Information

• Chemical Name: 6-Bromo-1-chloroisoquinoline
• CAS No.: 205055-63-6
• Molecular Formula: C9H5BrClN
• Molecular Weight: 242.502
• Hs Code.: 2933499090
• Mol file: 205055-63-6.mol

Synonyms:1-Chloro-6-bromoisoquinoline;

Chemical Property of 6-Bromo-1-chloroisoquinoline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.68
• Boiling Point: 349.497 °C at 760 mmHg
• PKA: 1.48±0.38(Predicted)
• Flash Point: 165.17 °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:

99%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-38-41
• Safety Statements: 26-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 6-Bromo-1-chloroisoquinoline has been used as a reactant in the preparation of phenylimidazoles as Smoothened antagonists.

Technology Process of 6-Bromo-1-chloroisoquinoline

There total 8 articles about 6-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: 97.0%

6-bromo-2H-isoquinoline-1-one (82827-09-6) → 6-bromo-1-chloroisoquinoline (205055-63-6)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 2h;

Reference yield: 86.0%

6-bromoisoquinoline nitrogen oxide (223671-16-7) → 6-bromo-1-chloroisoquinoline (205055-63-6)

Guidance literature:

With trichloroacetonitrile; triphenylphosphine; In toluene; at 115 ℃; for 4h; regioselective reaction; Sealed tube;

DOI:10.1002/ejoc.201501567

Reference yield: 73.0%

6-bromo-2-hydroxy-isoquinolinium; chloride → 6-bromo-1-chloroisoquinoline (205055-63-6)

Guidance literature:

With trichlorophosphate;

DOI:10.1016/S0960-894X(99)00069-4

upstream raw materials:

6-bromo-2H-isoquinoline-1-one

6-bromoisoquinoline nitrogen oxide

6-bromo-isoquinoline

isoquinoline

Downstream raw materials:

6-Bromo-1-phenoxyisoquinoline

6-bromo-2H-isoquinoline-1-one

1,6-dibromoisoquinoline

1,2-dihydro-1-oxoisoquinoline-6-carboxylic acid

Refernces

• 1、 -. "Synthetic method of drug intermediate nitrogen-containing heterocycle-containing brominated compound". Paragraph 0018; 0020; 0022; 0027; 0029; 0034; 0036. . Retrieved 2020/03/29.
• 2、 -. "Wnt SIGNALING INHIBITOR, COMPOSITION, AND COMPOUND AS USE THEREFOR". Paragraph 0122; 0123. . Retrieved 2017/08/15.