4-Fluoroisoquinoline

Base Information

• Chemical Name: 4-Fluoroisoquinoline
• CAS No.: 394-67-2
• Molecular Formula: C9H6FN
• Molecular Weight: 147.152
• Hs Code.: 2933499090
• Mol file: 394-67-2.mol

Synonyms:4-Fluoroisoquinoline;

Chemical Property of 4-Fluoroisoquinoline

Chemical Property:

• Vapor Pressure: 0.061mmHg at 25°C
• Melting Point: 34 °C
• Refractive Index: 1.5914
• Boiling Point: 239.7 °C at 760 mmHg
• PKA: 3.45±0.10(Predicted)
• Flash Point: 98.8 °C
• PSA: 12.89000
• Density: 1.216g/cm³
• LogP: 2.37390
• Storage Temp.: 2-8°C

Purity/Quality:

4-Fluoroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-fluoroisoquinoline is a useful research chemical.

Technology Process of 4-Fluoroisoquinoline

There total 15 articles about 4-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: 90.0%

4-bromoisoquinoline (1532-97-4) → 4--fluoroisoquinoline (394-67-2)

Guidance literature:

With potassium fluoride; C₁₁₄H₁₅₈O₄P₂Pd₂; silver fluoride; In tert-butyl methyl ether; at 110 ℃; for 14h; Sealed tube;

DOI:10.1021/ja5009739

Reference yield: 74.0%

4-aminoisoquinoline (23687-25-4) → 4--fluoroisoquinoline (394-67-2)

Guidance literature:

4-aminoisoquinoline; With lithium tetrafluoroborate; tert.-butylnitrite; trifluoroacetic acid; In ethyl acetate; at 60 ℃; Flow reactor;

With lithium tetrafluoroborate; In ethyl acetate; Flow reactor;

DOI:10.1002/anie.201606601

Reference yield:

1-chloro-4-fluoroisoquinoline → isoquinoline (119-65-3) + 4--fluoroisoquinoline (394-67-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; under 760.051 Torr; Reagent/catalyst; Overall yield = 33 mg;

upstream raw materials:

4-aminoisoquinoline

4-bromoisoquinoline

N-fluorobis(benzenesulfon)imide

1-isoquinolone

Downstream raw materials:

4-fluoro-5-[[(2S)-hexahydro-2-methyl-1H-1,4-diazepin-1-yl]sulfonyl]isoquinoline hydrochloride

4-fluoro-5-isoquinolinesulfonyl chloride

1--bromo-4-fluoroisoquinoline

4-fluoroisoquinoline-5-amine

Refernces

• 1、 -. "Synthesis method of 4-fluoroisoquinoline sulfate". . . Retrieved 2020/12/30.
• 2、 -. "A 4 - quinoline [...] -5 - synthesis of amines method (by machine translation)". . . Retrieved 2018/10/19.