4-BROMO-1-METHOXYISOQUINOLINE

Base Information

• Chemical Name: 4-BROMO-1-METHOXYISOQUINOLINE
• CAS No.: 746668-73-5
• Molecular Formula: C₁₀H₈BrNO
• Molecular Weight: 238.084
• Hs Code.: 2933499090
• Mol file: 746668-73-5.mol

Synonyms:4-Bromo-1-methoxyisoquinoline;

Chemical Property of 4-BROMO-1-METHOXYISOQUINOLINE

Chemical Property:

• Vapor Pressure: 0.000803mmHg at 25°C
• Melting Point: 53-55℃ (ethanol )
• Refractive Index: 1.64
• Boiling Point: 315.6 °C at 760 mmHg
• PKA: 0.99±0.20(Predicted)
• Flash Point: 144.6 °C
• PSA: 22.12000
• Density: 1.516 g/cm³
• LogP: 3.00590
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-1-methoxyisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BROMO-1-METHOXYISOQUINOLINE

There total 5 articles about 4-BROMO-1-METHOXYISOQUINOLINE 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: 88.0%

4-bromo-1-chloroisoqionoline (66728-98-1) + sodium methylate (124-41-4) → 4-bromo-1-methoxyisoqionoline (746668-73-5)

Guidance literature:

In methanol; at 70 ℃;

Reference yield:

4-bromo-1,2-dihydroisoquinolin-1-one (3951-95-9) → 4-bromo-1-methoxyisoqionoline (746668-73-5)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 3 h / 100 °C

2: methanol / 16 h / Reflux

With trichlorophosphate; In methanol;

Reference yield:

1-isoquinolone (491-30-5) → 4-bromo-1-methoxyisoqionoline (746668-73-5)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridinium hydrobromide perbromide / dichloromethane / 3 h / 20 °C

2: trichlorophosphate / 3 h / 100 °C

3: methanol / 16 h / Reflux

With pyridinium hydrobromide perbromide; trichlorophosphate; In methanol; dichloromethane;

upstream raw materials:

4-bromo-1-chloroisoqionoline

sodium methylate

methanol

4-bromo-1,2-dihydroisoquinolin-1-one

Downstream raw materials:

1-methoxy-4-isoquinolinecarboxaldehyde

Refernces

• 1、 Su, Bo,Hartwig, John F.. "Iridium-Catalyzed, Silyl-Directed, peri-Borylation of C?H Bonds in Fused Polycyclic Arenes and Heteroarenes". supporting information. p. 10163 - 10167. Retrieved 2018/07/31.
• 2、 Sercel, Anthony D.,Sanchez, Joseph P.,Showalter, H. D. Hollis. "Simple synthesis of 4-substituted 1(2H)-isoquinolinones via electrophilic trapping of lithiated mono- and dianion precursors". . p. 4199 - 4208. Retrieved 2008/03/13.