1-oxo-1,2-dihydroisoquinoline-6-carbonitrile

Base Information

• Chemical Name: 1-oxo-1,2-dihydroisoquinoline-6-carbonitrile
• CAS No.: 1184916-94-6
• Molecular Formula: C10H6N2O
• Molecular Weight: 170.16700
• Hs Code.: 2933499090
• Mol file: 1184916-94-6.mol

Synonyms:1-oxidanylidene-2H-isoquinoline-6-carbonitrile;1-oxo-1,2-dihydroisoquinoline-6-carbonitrile;

Chemical Property of 1-oxo-1,2-dihydroisoquinoline-6-carbonitrile

Chemical Property:

• PSA: 56.91000
• LogP: 1.81208

Purity/Quality:

97% ^*data from raw suppliers

1-Hydroxyisoquinoline-6-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-oxo-1,2-dihydroisoquinoline-6-carbonitrile

There total 3 articles about 1-oxo-1,2-dihydroisoquinoline-6-carbonitrile 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: 81.0%

vinyl acetate (108-05-4,9003-20-7) + 4-cyano-N-(pivaloyloxy)benzamide (1414350-90-5) → 6-cyanoisoquinolin-1(2H)-one (1184916-94-6)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; In methanol; at 45 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol502095z

Reference yield:

4-cyanobenzoic Acid (619-65-8,333406-09-0) → 6-cyanoisoquinolin-1(2H)-one (1184916-94-6)

Guidance literature:

Multi-step reaction with 3 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 20 °C / Inert atmosphere

2: triethylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere

3: cesium acetate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer / methanol / 16 h / 45 °C / Inert atmosphere

With oxalyl dichloride; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/ol502095z

Reference yield:

4-cyanobenzoyl chlorIde (6068-72-0) → 6-cyanoisoquinolin-1(2H)-one (1184916-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere

2: cesium acetate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer / methanol / 16 h / 45 °C / Inert atmosphere

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; triethylamine; In tetrahydrofuran; methanol;

DOI:10.1021/ol502095z

upstream raw materials:

vinyl acetate

4-cyano-N-(pivaloyloxy)benzamide

4-cyanobenzoic Acid

4-cyanobenzoyl chlorIde

Downstream raw materials:

C₁₁H₈N₂O

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