2-Hexyl-benzoenitril

Base Information

• Chemical Name: 2-Hexyl-benzoenitril
• CAS No.: 13670-98-9
• Molecular Formula: C₁₃H₁₇N
• Molecular Weight: 187.285
• Mol file: 13670-98-9.mol

Synonyms:2-Hexyl-benzoenitril

Chemical Property of 2-Hexyl-benzoenitril

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

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Technology Process of 2-Hexyl-benzoenitril

There total 3 articles about 2-Hexyl-benzoenitril 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: 65.0%

2-fluorobenzonitrile (394-47-8) + C15H34O3Ti → 2-Hexyl-benzoenitril (13670-98-9)

Guidance literature:

With 1-[2-(di-tert-butylphosphanyl)phenyl]-4-methoxy-piperidine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; toluene; at 110 ℃; for 12h; Inert atmosphere; Glovebox;

DOI:10.1007/s00706-021-02796-6

Reference yield:

n-hexylmagnesium chloride (44767-62-6) → 2-Hexyl-benzoenitril (13670-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1: titanium tetrachloride / tetrahydrofuran / 3.5 h / -20 - 20 °C / Inert atmosphere

2: 1-[2-(di-tert-butylphosphanyl)phenyl]-4-methoxy-piperidine; bis(dibenzylideneacetone)-palladium⁽⁰⁾ / toluene; tetrahydrofuran / 12 h / 110 °C / Inert atmosphere; Glovebox

With 1-[2-(di-tert-butylphosphanyl)phenyl]-4-methoxy-piperidine; titanium tetrachloride; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; toluene;

DOI:10.1007/s00706-021-02796-6

Reference yield:

→ 2-Hexyl-benzoenitril (13670-98-9)

Guidance literature:

o-Tolunitril, 1.) KNH2, fl. NH3, 2.) Pentylchlorid;

DOI:10.1021/jo01349a075

upstream raw materials:

n-hexylmagnesium chloride

2-fluorobenzonitrile