3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine

Base Information

• Chemical Name: 3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine
• CAS No.: 27464-17-1
• Molecular Formula: C9H13 Cl N4
• Molecular Weight: 212.682
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID10427764
• Nikkaji Number: J3.513.679G
• ChEMBL ID: CHEMBL126606
• Mol file: 27464-17-1.mol

Synonyms:3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine;27464-17-1;3-chloro-6-(4-methyl-1-piperazinyl)pyridazine;CHEMBL126606;SCHEMBL257823;DTXSID10427764;VGTMXNQTGZLFFW-UHFFFAOYSA-N;BBL013288;BDBM50473457;MFCD06655950;STK504525;AKOS000266647;CCG-358892;MB03858;AS-66845;3-Chloro-6-(4-methylpiperazino)pyridazine;2,2,3,5,6,6-HEXACHLOROBIPHENYL;CS-0301026;FT-0679326;J3.513.679G;EN300-237933;A876924;F3266-0082

Chemical Property of 3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine

Chemical Property:

• Vapor Pressure: 2.41E-06mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 391.7°Cat760mmHg
• Flash Point: 190.7°C
• PSA: 32.26000
• Density: 1.242g/cm³
• LogP: 0.88470
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.0828741
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NN=C(C=C2)Cl

Technology Process of 3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine

There total 3 articles about 3-Chloro-6-(4-methylpiperazin-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: 73.0%

1-methyl-piperazine (109-01-3) + 3,6-dichlorpyridazine (141-30-0) → 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine (27464-17-1)

Guidance literature:

With triethylamine; In ethanol; for 5.5h; Reflux;

DOI:10.1016/j.tet.2015.05.056

Reference yield: 44.0%

formic acid (64-18-6) + 3-chloro-6-piperazin-1-yl-pyridazine (56392-83-7) → 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine (27464-17-1)

Guidance literature:

With 40percent HCHO; at 110 ℃; for 2.5h;

DOI:10.1021/jm0208830

Reference yield:

→ 3-chloro-6-(4-methylpiperazin-1-yl)pyridazine (27464-17-1)

Guidance literature:

3,6-Dichlorpyridazin, N-Methylpiperazin/EtOH/Δ;

upstream raw materials:

1-methyl-piperazine

3,6-dichlorpyridazine

formic acid

3-chloro-6-piperazin-1-yl-pyridazine

Downstream raw materials:

3-(2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine

3-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyridazine

5-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methyl-5-(6-(4-methylpiperazin-1-yl)pyridazin-3-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoindolin-1-one