ISOQUINOLINE-8-CARBOXYLIC ACID

Base Information

• Chemical Name: ISOQUINOLINE-8-CARBOXYLIC ACID
• CAS No.: 61563-43-7
• Molecular Formula: C10H7NO2
• Molecular Weight: 173.171
• Hs Code.: 29334990
• Mol file: 61563-43-7.mol

Synonyms:Isoquinoline-8-carboxylic acid;

Chemical Property of ISOQUINOLINE-8-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 2.64E-07mmHg at 25°C
• Melting Point: 292-294 °C
• Refractive Index: 1.684
• Boiling Point: 405.6 °C at 760 mmHg
• PKA: 2.00±0.30(Predicted)
• Flash Point: 199.1 °C
• PSA: 50.19000
• Density: 1.339 g/cm³
• LogP: 1.93300
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

Isoquinoline-8-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

Useful:

Technology Process of ISOQUINOLINE-8-CARBOXYLIC ACID

There total 2 articles about ISOQUINOLINE-8-CARBOXYLIC ACID 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:

8-bromo-isoquinoline (63927-22-0) → isoquinoline-8-carboxylic acid (61563-43-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 250 °C

2: aqueous HCl / 150 °C

With hydrogenchloride;

DOI:10.1021/ja01870a059

Reference yield:

isoquinoline-8-carbonitrile (362606-11-9) → isoquinoline-8-carboxylic acid (61563-43-7)

Guidance literature:

With hydrogenchloride; at 150 ℃;

DOI:10.1021/ja01870a059

Reference yield:

isoquinoline-8-carboxylic acid (61563-43-7) + (3S)-3-methyl-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine (1204535-11-4) → 8-[((2S)-2-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]isoquinoline hydrochloride (1315571-55-1)

Guidance literature:

isoquinoline-8-carboxylic acid; (3S)-3-methyl-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine; With N-ethylmorpholine;; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide;

With hydrogenchloride; In tetrahydrofuran; water;

upstream raw materials:

isoquinoline-8-carbonitrile

8-bromo-isoquinoline

Downstream raw materials:

8-isoquinolinecarboxylic acid methyl ester

8-[((2S)-2-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]isoquinoline hydrochloride