4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile

Base Information

• Chemical Name: 4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile
• CAS No.: 873546-85-1
• Molecular Formula: C₂₅H₂₇F₂N₃O₂
• Molecular Weight: 439.505
• Mol file: 873546-85-1.mol

Synonyms:4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile

Chemical Property of 4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile

There total 4 articles about 4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile 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:

2-fluoro-4-[3-(4-piperidinyl)propoxy] benzonitrile (873546-82-8) + 4-(3-chloropropoxy)-2-fluorobenzonitrile (873547-02-5) → 4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile (873546-85-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 80 - 90 ℃; for 8.25h;

Reference yield:

tert-butyl 4-[3-(4-cyano-3-fluorophenoxy)propyl]-1-piperidinecarboxylate (873546-81-7) → 4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile (873546-85-1)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / dichloromethane / 6.03 h / 0 - 20 °C

2: N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 8.25 h / 80 - 90 °C

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane; dimethyl sulfoxide;

Reference yield:

N-Boc-piperidin-4-yl-propanol (156185-63-6) → 4-(3-{1-[3-(4-cyano-3-fluorophenoxy) propyl]-4-piperidinyl}propoxy)-2-fluorobenzonitrile (873546-85-1)

Guidance literature:

Multi-step reaction with 4 steps

1: carbon tetrabromide; triphenylphosphine / tetrahydrofuran; water / 15.72 h / 20 °C

2: potassium carbonate / butanone / 6.5 h / Heating / reflux

3: trifluoroacetic acid / dichloromethane / 6.03 h / 0 - 20 °C

4: N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 8.25 h / 80 - 90 °C

With carbon tetrabromide; potassium carbonate; N-ethyl-N,N-diisopropylamine; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; water; dimethyl sulfoxide; butanone;

upstream raw materials:

2-fluoro-4-[3-(4-piperidinyl)propoxy] benzonitrile

4-(3-chloropropoxy)-2-fluorobenzonitrile

tert-butyl 4-[3-(4-cyano-3-fluorophenoxy)propyl]-1-piperidinecarboxylate

N-Boc-piperidin-4-yl-propanol

Downstream raw materials:

C₂₉H₃₉F₂N₃O₄