Isoquinoline,1,3-dibromo-

Base Information

• Chemical Name: Isoquinoline,1,3-dibromo-
• CAS No.: 53987-60-3
• Molecular Formula: C9H5Br2N
• Molecular Weight: 286.953
• Hs Code.: 2933499090
• Mol file: 53987-60-3.mol

Synonyms:1,3-dibromo-isoquinoline;1,3-Dibromisochinolin;isoquinoline,1,3-dibromo;

Chemical Property of Isoquinoline,1,3-dibromo-

Chemical Property:

• Boiling Point: 370.9 °C at 760 mmHg
• PKA: -1.49±0.50(Predicted)
• Flash Point: 178.1 °C
• PSA: 12.89000
• Density: 1.923 g/cm³
• LogP: 3.75980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

1,3-Dibromoisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isoquinoline,1,3-dibromo-

There total 3 articles about Isoquinoline,1,3-dibromo- 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: 14.0%

4H-isoquinolin-1,3-dione (4456-77-3) → 3-bromoisoquinoline (34784-02-6) + 1,3-dibromoisoquinoline (53987-60-3)

Guidance literature:

With phosphorus tribromide; for 16h; Reflux;

DOI:10.1016/j.bmc.2015.06.061

Reference yield:

Homophthalic acid (89-51-0) → 3-bromoisoquinoline (34784-02-6) + 1,3-dibromoisoquinoline (53987-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: urea / neat (no solvent) / 2 h / 175 - 185 °C

2: phosphorus tribromide / 16 h / Reflux

With phosphorus tribromide; urea; In neat (no solvent);

DOI:10.1016/j.bmc.2015.06.061

Reference yield:

5,6,7,8-tetrahydroisoquinolin-3-ol (102879-33-4) → 3-bromoisoquinoline (34784-02-6) + 1,3-dibromoisoquinoline (53987-60-3)

Guidance literature:

at 190 ℃;

DOI:10.1039/jr9580002038

upstream raw materials:

5,6,7,8-tetrahydroisoquinolin-3-ol

4H-isoquinolin-1,3-dione

Homophthalic acid

Downstream raw materials:

1-methoxy-5-nitro-3-(2-trifluoromethylphenyl)isoquinoline

1-methoxy-5-nitro-3-(2-phenylethynyl)isoquinoline

1-methoxy-5-nitro-3-(3-trifluoromethylphenyl)isoquinoline

1-methoxy-5-nitro-3-(4-trifluoromethylphenyl)isoquinoline

Refernces