2-(piperazin-1-yl)benzonitrile hydrochloride

Base Information

• Chemical Name: 2-(piperazin-1-yl)benzonitrile hydrochloride
• CAS No.: 95371-99-6
• Molecular Formula: C₁₁H₁₃N₃*ClH
• Molecular Weight: 223.705
• Mol file: 95371-99-6.mol

Synonyms:Benzonitrile, 2-(1-piperazinyl)-, monohydrochloride;Benzonitrile, o-1-piperazinyl-, hydrochloride;2-(piperazin-1-yl)benzonitrile hydrochloride;

Chemical Property of 2-(piperazin-1-yl)benzonitrile hydrochloride

Chemical Property:

• Melting Point: 205-207 °C
• PSA: 39.06000
• LogP: 2.16368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(piperazin-1-yl)benzonitrile hydrochloride

There total 1 articles about 2-(piperazin-1-yl)benzonitrile hydrochloride 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:

o-cyanobromobenzene (2042-37-7) → 2-(piperazin-1-yl)benzonitrile hydrochloride (95371-99-6)

Guidance literature:

Multi-step reaction with 2 steps

1: XPhos; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium t-butanolate / toluene / 16 h / 110 °C

2: hydrogenchloride / 1,4-dioxane / 0.5 h / 15 °C

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium t-butanolate; XPhos; In 1,4-dioxane; toluene;

Reference yield:

2-(piperazin-1-yl)benzonitrile hydrochloride (95371-99-6) → 2-(4-((7-((4,4-dimethylcyclohexyl)sulfonyl)-9-(hydroxyimino)-9H-fluoren-2-yl)sulfonyl)piperazin-1-yl)benzonitrile

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0.08 h / 15 °C

1.2: 0.5 h / 15 °C

2.1: pyridine; hydroxylamine hydrochloride / 1 h / 60 °C

With pyridine; hydroxylamine hydrochloride; triethylamine; In dichloromethane;

upstream raw materials:

o-cyanobromobenzene

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