Isoquinoline-4-carboxylic acid

Base Information

• Chemical Name: Isoquinoline-4-carboxylic acid
• CAS No.: 7159-36-6
• Molecular Formula: C10H7NO2
• Molecular Weight: 173.171
• Hs Code.: 2933499090
• Mol file: 7159-36-6.mol

Synonyms:Isoquinoline-4-carboxylic acid;4-Carboxyisoquinoline;

Chemical Property of Isoquinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.64E-07mmHg at 25°C
• Refractive Index: 1.684
• Boiling Point: 405.6 °C at 760 mmHg
• PKA: 1.00±0.10(Predicted)
• Flash Point: 199.1 °C
• PSA: 50.19000
• Density: 1.339 g/cm³
• LogP: 1.93300
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

Isoquinoline-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isoquinoline-4-carboxylic acid

There total 5 articles about Isoquinoline-4-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: 59.3%

isoquinoline-4-carbonitrile (34846-65-6) → 4-isoquinolinecarboxylic acid (7159-36-6)

Guidance literature:

With water; potassium hydroxide; In ethanol; Reflux;

Reference yield:

isoquinoline (119-65-3) → 4-isoquinolinecarboxylic acid (7159-36-6)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; N-Bromosuccinimide / 100 °C

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 120 °C / Inert atmosphere

3: potassium hydroxide; water / ethanol / Reflux

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water; acetic acid; potassium hydroxide; In ethanol; N,N-dimethyl-formamide;

Reference yield:

3-bromoisoquinoline (34784-02-6) → 4-isoquinolinecarboxylic acid (7159-36-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 120 °C / Inert atmosphere

2: potassium hydroxide; water / ethanol / Reflux

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; water; potassium hydroxide; In ethanol; N,N-dimethyl-formamide;

upstream raw materials:

4-bromoisoquinoline

isoquinoline-4-carbonitrile

4-lithioisoquinoline

diethyl ether

Downstream raw materials:

4-ethoxycarbonylisoquinoline

methyl isoquinoline-4-carboxylate

4-(N-β-phenethylcarbamoyl)isoquinoline

C₁₀H₆ClNO

Refernces

• 1、 -. "CANNABINOID RECEPTOR MODULATORS". Page/Page column 40. . Retrieved 2013/03/26.