I+/--(3-Chloropropyl)-4-fluorobenzeneacetonitrile

Base Information

• Chemical Name: I+/--(3-Chloropropyl)-4-fluorobenzeneacetonitrile
• CAS No.: 712-75-4
• Molecular Formula: C₁₁H₁₁ClFN
• Molecular Weight: 211.666
• DSSTox Substance ID: DTXSID301245765

Synonyms:SCHEMBL11603025;DTXSID301245765;712-75-4;I+/--(3-Chloropropyl)-4-fluorobenzeneacetonitrile

Chemical Property of I+/--(3-Chloropropyl)-4-fluorobenzeneacetonitrile

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 211.0564052
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CCCCl)C#N)F

Technology Process of I+/--(3-Chloropropyl)-4-fluorobenzeneacetonitrile

There total 2 articles about I+/--(3-Chloropropyl)-4-fluorobenzeneacetonitrile 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:

1-iodo-3-chloro-propane (6940-76-7) + 4-fluorophenylacetonitrile (459-22-3) → 1-Chlor-4-cyan-4-<4-fluor-phenyl>-butan (712-75-4)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; for 1h;

DOI:10.1021/jm990316l

Reference yield:

→ 1-Chlor-4-cyan-4-<4-fluor-phenyl>-butan (712-75-4)

Guidance literature:

<4-Fluor-phenyl>-acetonitril, 1.) 1-Brom-3-chlor-propan, 2.) NaNH2;

Reference yield:

4-(4-chlorophenyl)-4-hydroxypiperidine (39512-49-7) + 1-Chlor-4-cyan-4-<4-fluor-phenyl>-butan (712-75-4) → 4-(4-Chlorophenyl)-α-(4-fluorophenyl)-4-hydroxy-1-piperidinepentanenitrile

Guidance literature:

In tetrahydrofuran; cyclohexane; at 65 ℃;

DOI:10.1021/jm990316l

upstream raw materials:

1-iodo-3-chloro-propane

4-fluorophenylacetonitrile

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