Isoquinoline, 5-(bromomethyl)- (9CI)

Base Information

• Chemical Name: Isoquinoline, 5-(bromomethyl)- (9CI)
• CAS No.: 158654-74-1
• Molecular Formula: C₁₀H₈BrN
• Molecular Weight: 222.084
• Hs Code.: 2933499090
• Mol file: 158654-74-1.mol

Synonyms:5-(bromomethyl)isoquinoline

Chemical Property of Isoquinoline, 5-(bromomethyl)- (9CI)

Chemical Property:

• Boiling Point: 337.252 °C at 760 mmHg
• PKA: 4.94±0.13(Predicted)
• Flash Point: 157.765 °C
• PSA: 12.89000
• Density: 1.518 g/cm³
• LogP: 3.12970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

5-(BROMOMETHYL)ISOQUINOLINE HYDROBROMIDE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isoquinoline, 5-(bromomethyl)- (9CI)

There total 2 articles about Isoquinoline, 5-(bromomethyl)- (9CI) 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: 87.0%

isoquinolin-5-ylmethanol (76518-57-5) → 5-(bromomethyl)isoquinoline (158654-74-1)

Guidance literature:

With hydrogen bromide; In acetic acid; at 75 ℃; for 0.75h;

Reference yield:

isoquinoline-5-carboxaldehyde (80278-67-7) → 5-(bromomethyl)isoquinoline (158654-74-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol / 0.25 h / 0 °C

2: hydrogen bromide / acetic acid / 0.75 h / 75 °C

With sodium tetrahydroborate; hydrogen bromide; In methanol; acetic acid;

upstream raw materials:

isoquinolin-5-ylmethanol

isoquinoline-5-carboxaldehyde

Refernces

• 1、 -. "SUBSTITUTED PYRIDINONES". Page/Page column 293. . Retrieved 2008/06/13.