4-[3-[(4-Ethoxyphenyl)methyl]-1-ethyl-1H-pyrazol-5-yl]piperidine

Base Information

• Chemical Name: 4-[3-[(4-Ethoxyphenyl)methyl]-1-ethyl-1H-pyrazol-5-yl]piperidine
• CAS No.: 442877-29-4
• Molecular Formula: C₁₉H₂₇N₃O
• Molecular Weight: 313.443
• DSSTox Substance ID: DTXSID901170481

Synonyms:442877-29-4;SCHEMBL5764465;DTXSID901170481;4-[3-[(4-Ethoxyphenyl)methyl]-1-ethyl-1H-pyrazol-5-yl]piperidine;DB-090370

Chemical Property of 4-[3-[(4-Ethoxyphenyl)methyl]-1-ethyl-1H-pyrazol-5-yl]piperidine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 313.215412493
• Heavy Atom Count: 23
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=CC(=N1)CC2=CC=C(C=C2)OCC)C3CCNCC3

Technology Process of 4-[3-[(4-Ethoxyphenyl)methyl]-1-ethyl-1H-pyrazol-5-yl]piperidine

There total 3 articles about 4-[3-[(4-Ethoxyphenyl)methyl]-1-ethyl-1H-pyrazol-5-yl]piperidine 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:

ethylhydrazine oxalic acid salt (6629-60-3) + 4-[4-(4-ethoxy-phenyl)-3-oxo-but-1-ynyl]-piperidine-1-carboxylic acid tert-butyl ester → 4-[5-(4-ethoxy-benzyl)-1-ethyl-1H-pyrazol-3-yl]-piperidine + 4-[5-(4-ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidine (442877-29-4)

Guidance literature:

ethylhydrazine oxalic acid salt; 4-[4-(4-ethoxy-phenyl)-3-oxo-but-1-ynyl]-piperidine-1-carboxylic acid tert-butyl ester; In ethanol; at 60 - 80 ℃;

With hydrogenchloride; In methanol;

DOI:10.1016/j.bmcl.2003.12.006

Reference yield:

4-ethoxyphenylacetic acid chloride (10368-35-1) → 4-[5-(4-ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidine (442877-29-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Pd(PPh₃)4 / 1,2-dichloro-ethane / Heating

2.1: ethanol / 60 - 80 °C

2.2: HCl / methanol

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; 1,2-dichloro-ethane;

DOI:10.1016/j.bmcl.2003.12.006

Reference yield:

4-trimethylstannanylethynyl-piperidine-1-carboxylic acid tert-butyl ester → 4-[5-(4-ethoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidine (442877-29-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Pd(PPh₃)4 / 1,2-dichloro-ethane / Heating

2.1: ethanol / 60 - 80 °C

2.2: HCl / methanol

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; 1,2-dichloro-ethane;

DOI:10.1016/j.bmcl.2003.12.006

upstream raw materials:

ethylhydrazine oxalic acid salt

4-ethoxyphenylacetic acid chloride

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