3-Chloro-6-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}pyridazine

Base Information

• Chemical Name: 3-Chloro-6-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}pyridazine
• CAS No.: 1168-73-6
• Molecular Formula: C₁₈H₂₃ClN₄O₂
• Molecular Weight: 362.859
• DSSTox Substance ID: DTXSID40568533
• Wikidata: Q82454815
• Mol file: 1168-73-6.mol

Synonyms:1168-73-6;DTXSID40568533;3-Chloro-6-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}pyridazine

Chemical Property of 3-Chloro-6-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}pyridazine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 362.1509537
• Heavy Atom Count: 25
• Complexity: 395

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=NN=C(C=C3)Cl)OC

Technology Process of 3-Chloro-6-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}pyridazine

There total 2 articles about 3-Chloro-6-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}pyridazine 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: 55.0%

3,6-dichlorpyridazine (141-30-0) + 4-<2-(3,4-dimethoxyphenyl)-ethyl>-piperazine (86136-56-3) → 6-<4-<2-(3,4-dimethoxyphenyl)-ethyl>-piperazinyl>-3-chloropyridazine (1168-73-6)

Guidance literature:

With potassium carbonate; In butanone; for 24h; Heating;

DOI:10.1002/ardp.19923250309

Reference yield:

2-(3,4-dimethoxyphenyl)-ethylchloride (27160-08-3) → 6-<4-<2-(3,4-dimethoxyphenyl)-ethyl>-piperazinyl>-3-chloropyridazine (1168-73-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / ethanol / 24 h / Heating

2: 55 percent / K₂CO₃ / butan-2-one / 24 h / Heating

With potassium carbonate; In ethanol; butanone;

DOI:10.1002/ardp.19923250309

Reference yield: 40.0%

6-<4-<2-(3,4-dimethoxyphenyl)-ethyl>-piperazinyl>-3-chloropyridazine (1168-73-6) → 6-<4-<2-(3,4-dimethoxyphenyl)-ethyl>-piperazinyl>-pyridazin-3(2H)-one (140628-47-3)

Guidance literature:

With acetic acid; for 7h; Heating;

DOI:10.1002/ardp.19923250309

upstream raw materials:

3,6-dichlorpyridazine

4-<2-(3,4-dimethoxyphenyl)-ethyl>-piperazine

2-(3,4-dimethoxyphenyl)-ethylchloride

Downstream raw materials:

6-<4-<2-(3,4-dimethoxyphenyl)-ethyl>-piperazinyl>-pyridazin-3(2H)-one

6-<4-<2-(3,4-dihydroxyphenyl)-ethyl>-piperazinyl>-pyridazin-3(2H)-one