ISOQUINOLINE-8-CARBALDEHYDE

Base Information

• Chemical Name: ISOQUINOLINE-8-CARBALDEHYDE
• CAS No.: 787615-01-4
• Molecular Formula: C10H7 N O
• Molecular Weight: 157.172
• Hs Code.: 2933499090
• Mol file: 787615-01-4.mol

Synonyms:RARECHEM AM LA 0004;ISOQUINOLINE-8-CARBALDEHYDE;ISOQUINOLINE-8-CARBOXALDEHYDE;8-Isoquinolinecarboxaldehyde

Chemical Property of ISOQUINOLINE-8-CARBALDEHYDE

Chemical Property:

• Vapor Pressure: 0.000153mmHg at 25°C
• Melting Point: 0°C
• Refractive Index: 1.687
• Boiling Point: 0°C
• PKA: 4.49±0.23(Predicted)
• Flash Point: 0oC
• PSA: 29.96000
• Density: 1.223g/cm3
• LogP: 2.04730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Isoquinoline-8-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ISOQUINOLINE-8-CARBALDEHYDE

There total 1 articles about ISOQUINOLINE-8-CARBALDEHYDE 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: 58.0%

8-bromo-isoquinoline (63927-22-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → isoquinoline-8-carboxaldehyde (787615-01-4)

Guidance literature:

With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/cmdc.201500527

Reference yield:

isoquinoline-8-carboxaldehyde (787615-01-4) → C16H13NO4

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 2 h / 0 - 20 °C / Inert atmosphere

1.2: 19 h / 20 °C / Inert atmosphere

2.1: sodium ethanolate / ethanol / 0.67 h / 20 °C

2.2: 4 h / Reflux

3.1: sodium hydroxide; water / 3 h / 90 °C

With water; sodium ethanolate; sodium hydride; sodium hydroxide; In tetrahydrofuran; ethanol; mineral oil;

DOI:10.1002/cmdc.201500527

Reference yield:

isoquinoline-8-carboxaldehyde (787615-01-4) → 5-(isoquinolin-8-yl)cyclohexan-1,3-dione

Guidance literature:

Multi-step reaction with 4 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 2 h / 0 - 20 °C / Inert atmosphere

1.2: 19 h / 20 °C / Inert atmosphere

2.1: sodium ethanolate / ethanol / 0.67 h / 20 °C

2.2: 4 h / Reflux

3.1: sodium hydroxide; water / 3 h / 90 °C

4.1: sulfuric acid / water / 2 h / pH 5 - 6 / Reflux

With sulfuric acid; water; sodium ethanolate; sodium hydride; sodium hydroxide; In tetrahydrofuran; ethanol; water; mineral oil;

DOI:10.1002/cmdc.201500527

upstream raw materials:

8-bromo-isoquinoline

N,N-dimethyl-formamide

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