4-fluoroisoquinoline sulfate

Base Information

• Chemical Name: 4-fluoroisoquinoline sulfate
• CAS No.: 906820-09-5
• Molecular Formula: C9H8FNO4S
• Molecular Weight: 245.231
• Hs Code.: 2933491090
• Mol file: 906820-09-5.mol

Synonyms:Isoquinoline, 4-fluoro-, sulfate (1:1);4-Fluoroisoquinoline sulfate (1:1)

Chemical Property of 4-fluoroisoquinoline sulfate

Chemical Property:

• Melting Point: 166-167 °C
• PSA: 95.87000
• LogP: 2.80190
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

4-Fluoroisoquinolinesulfate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-fluoroisoquinoline sulfate

There total 3 articles about 4-fluoroisoquinoline sulfate 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: 99.0%

4--fluoroisoquinoline (394-67-2) → 4-fluoroisoquinoline sulfate (906820-09-5)

Guidance literature:

With sulfuric acid; In acetone; at 0 - 10 ℃; for 2h; Inert atmosphere; Large scale reaction;

DOI:10.3987/COM-11-12230

Reference yield: 98.8%

→ 4-fluoroisoquinoline sulfate (906820-09-5)

Guidance literature:

Reference yield:

1-bromoisoquinoline (1532-71-4) → 4-fluoroisoquinoline sulfate (906820-09-5)

Guidance literature:

Multi-step reaction with 3 steps

1: N-fluorobis(benzenesulfon)imide / acetonitrile / 6 h / 60 °C

2: hydrogen / water; methanol / 6 h / 20 °C / Flow reactor; Alkaline conditions

3: sulfuric acid / acetone / 2 h / -5 °C

With sulfuric acid; hydrogen; N-fluorobis(benzenesulfon)imide; In methanol; water; acetone; acetonitrile;

upstream raw materials:

4--fluoroisoquinoline

1-bromoisoquinoline

Downstream raw materials:

4-fluoroisoquinoline-5-sulfonyl chloride hydrochloride

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

4-fluoro-5-isoquinolinesulfonyl chloride

C₉H₅ClFNO₂S*ClH

Refernces

• 1、 Gomi, Noriaki,Ohgiya, Tadaaki,Shibuya, Kimiyuki,Katsuyama, Jyunji,Masumoto, Masayuki,Sakai, Hitoshi. "A Practical synthesis of novel Rho-kinase inhibitor, (S)-4-fluoro-5-(2- methyl-1,4-diazepan-1-ylsulfonyl)-isoquinoline". experimental part. p. 1771 - 1781. Retrieved 2011/09/21.
• 2、 -. "PROCESS FOR PRODUCTION OF 4-FLUOROISOQUINOLINE-5-SULFONYL HALIDE OR SALT THEREOF". Page/Page column 8. . Retrieved 2008/06/13.