1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine

Base Information

• Chemical Name: 1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine
• CAS No.: 860787-10-6
• Molecular Formula: C₁₆H₁₈ClN₃
• Molecular Weight: 287.792
• DSSTox Substance ID: DTXSID90363035
• Wikidata: Q82146582
• ChEMBL ID: CHEMBL1867484
• Mol file: 860787-10-6.mol

Synonyms:1-[(6-chloro-3-pyridinyl)methyl]-4-phenylpiperazine;860787-10-6;1-[(6-chloropyridin-3-yl)methyl]-4-phenylpiperazine;1-((6-Chloropyridin-3-yl)methyl)-4-phenylpiperazine;Bionet2_001667;HMS1368O03;MLS000696538;CHEMBL1867484;DTXSID90363035;HMS2721E04;MFCD04124602;AKOS000156476;SMR000336652;12W-0843

Chemical Property of 1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine

Chemical Property:

• Melting Point: 133-136°
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 287.1189253
• Heavy Atom Count: 20
• Complexity: 285

Purity/Quality:

98%min ^*data from raw suppliers

1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CN=C(C=C2)Cl)C3=CC=CC=C3

Technology Process of 1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine

There total 2 articles about 1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine 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:

C10H14ClN3 (1135439-04-1) + chlorobenzene (108-90-7) → 1-[(6-chloropyridin-3-yl)methyl]-4-phenylpiperazine (860787-10-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 55 ℃; for 10h;

DOI:10.1021/jf902640u

Reference yield:

2-chloro-5-(chloromethyl)pyridine (70258-18-3) → 1-[(6-chloropyridin-3-yl)methyl]-4-phenylpiperazine (860787-10-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethanol / 12 h / 55 °C

2: potassium carbonate / acetonitrile / 10 h / 55 °C

With potassium carbonate; triethylamine; In ethanol; acetonitrile;

DOI:10.1021/jf902640u

upstream raw materials:

C₁₀H₁₄ClN₃

chlorobenzene

2-chloro-5-(chloromethyl)pyridine

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