7-Bromo-6-fluoroisoquinoline

Base Information

• Chemical Name: 7-Bromo-6-fluoroisoquinoline
• CAS No.: 923022-40-6
• Molecular Formula: C₉H₅BrFN
• Molecular Weight: 226.048
• European Community (EC) Number: 837-346-4
• DSSTox Substance ID: DTXSID10695087
• Wikidata: Q72456088
• Mol file: 923022-40-6.mol

Synonyms:7-Bromo-6-fluoroisoquinoline;923022-40-6;6-FLUORO-7-BROMOISOQUINOLINE;MFCD11846300;Isoquinoline, 7-bromo-6-fluoro-;6-Fluoro-7-bromo-isoquinoline;7-Bromo-6-fluoro-isoquinoline;SCHEMBL1571950;DTXSID10695087;ABZAYLFRWGIRDU-UHFFFAOYSA-N;AMY25837;AKOS016014064;AS-37806;SY023347;CS-0171524;FT-0718294;EN300-383975;A860122;Z1269149653;7-bromo-6-fluoroisoquinoline

Chemical Property of 7-Bromo-6-fluoroisoquinoline

Chemical Property:

• PSA: 12.89000
• LogP: 3.13640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.95894
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

7-bromo-6-fluoroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=CC(=C(C=C21)F)Br

Technology Process of 7-Bromo-6-fluoroisoquinoline

There total 5 articles about 7-Bromo-6-fluoroisoquinoline 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: 55.0%

N-[(3-bromo-4-fluoro-phenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-benzenesulfonamide (1036712-62-5) → 7-bromo-6-fluoroisoquinoline (923022-40-6)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 20 ℃; for 48h; Inert atmosphere;

Reference yield:

3-bromo-4-fluorobenzaldehyde (77771-02-9) + 2,2-dimethoxyethylamine (22483-09-6) → 7-bromo-6-fluoroisoquinoline (923022-40-6)

Guidance literature:

3-bromo-4-fluorobenzaldehyde; 2,2-dimethoxyethylamine; In toluene; at 20 ℃;

With sulfuric acid; phosphorus pentoxide; In toluene; at 160 ℃; for 1h;

With sodium hydroxide; In water; toluene; pH=8; Cooling with ice;

Reference yield:

3-bromo-4-fluorobenzaldehyde (77771-02-9) → 7-bromo-6-fluoroisoquinoline (923022-40-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: toluene / 20 °C / Inert atmosphere

1.2: 2 h / 20 °C / Inert atmosphere

2.1: pyridine / dichloromethane / 18 h / 20 °C / Inert atmosphere

3.1: aluminium trichloride / dichloromethane / 48 h / 20 °C / Inert atmosphere

With pyridine; aluminium trichloride; In dichloromethane; toluene;

upstream raw materials:

3-bromo-4-fluorobenzaldehyde

2,2-dimethoxyethylamine

N-[(3-bromo-4-fluoro-phenyl)methyl]-2,2-dimethoxy-ethanamine

N-[(3-bromo-4-fluoro-phenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-benzenesulfonamide

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