1(2H)-Isoquinolinone,5-fluoro-(9CI)

Base Information

• Chemical Name: 1(2H)-Isoquinolinone,5-fluoro-(9CI)
• CAS No.: 410086-25-8
• Molecular Formula: C9H6FNO
• Molecular Weight: 163.151143
• Hs Code.: 2933499090
• Mol file: 410086-25-8.mol

Synonyms:1(2H)-Isoquinolinone,5-fluoro-(9CI);

Chemical Property of 1(2H)-Isoquinolinone,5-fluoro-(9CI)

Chemical Property:

• Boiling Point: 387.162 °C at 760 mmHg
• Flash Point: 187.949 °C
• PSA: 33.12000
• Density: 1.292 g/cm³
• LogP: 2.07950
• Storage Temp.: 2-8°C

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-Fluoroisoquinolin-1(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1(2H)-Isoquinolinone,5-fluoro-(9CI)

There total 4 articles about 1(2H)-Isoquinolinone,5-fluoro-(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: 51.0%

→ 5-fluoroisoquinolin-1(2H)-one (410086-25-8)

Guidance literature:

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + 3-fluoro-N-(pivaloyloxy)benzamide (1427180-46-8) → 5-fluoroisoquinolin-1(2H)-one (410086-25-8) + 7-fluoroisoquinoline-1(2H)-one (410086-27-0)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; In methanol; at 45 ℃; for 16h; Overall yield = 71 %; Overall yield = 170 mg; Inert atmosphere;

DOI:10.1021/ol502095z

Reference yield:

3-fluorobenzoic acid (455-38-9) → 5-fluoroisoquinolin-1(2H)-one (410086-25-8) + 7-fluoroisoquinoline-1(2H)-one (410086-27-0)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 20 °C / Inert atmosphere

2: triethylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere

3: cesium acetate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer / methanol / 16 h / 45 °C / Inert atmosphere

With oxalyl dichloride; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/ol502095z

upstream raw materials:

vinyl acetate

3-fluoro-N-(pivaloyloxy)benzamide

3-fluorobenzoic acid

3-fluorobenzoyl chloride

Downstream raw materials:

1-chloro-5-fluoroisoquinoline

Refernces

• 1、 -. "Hepatitis C Virus Inhibitors". Page/Page column 137. . Retrieved 2008/12/05.