3-Chloro-6-cyclohexylpyridazine

Base Information

• Chemical Name: 3-Chloro-6-cyclohexylpyridazine
• CAS No.: 105538-78-1
• Molecular Formula: C10H13ClN2
• Molecular Weight: 196.68
• DSSTox Substance ID: DTXSID50547970
• Nikkaji Number: J2.139.029A
• Wikidata: Q82426527
• Mol file: 105538-78-1.mol

Synonyms:3-CHLORO-6-CYCLOHEXYLPYRIDAZINE;105538-78-1;Pyridazine, 3-chloro-6-cyclohexyl-;DTXSID50547970;MFCD12065613;CS-0216045;EN300-3242558;Z448248156

Chemical Property of 3-Chloro-6-cyclohexylpyridazine

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.0767261
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=NN=C(C=C2)Cl

Technology Process of 3-Chloro-6-cyclohexylpyridazine

There total 4 articles about 3-Chloro-6-cyclohexylpyridazine 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: 27.0%

3,6-dichlorpyridazine (141-30-0) + cyclohexylzinc(II) bromide (7565-57-3) → 3-Chloro-6-cyclohexyl-pyridazine (105538-78-1)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2004.12.124

Reference yield:

6-cyclohexyl-3(2H)-pyridazinone (105537-90-4) → 3-Chloro-6-cyclohexyl-pyridazine (105538-78-1)

Guidance literature:

With trichlorophosphate; at 85 - 95 ℃; for 4h;

DOI:10.1021/jm00385a003

Reference yield:

Cyclohexyl methyl ketone (823-76-7) → 3-Chloro-6-cyclohexyl-pyridazine (105538-78-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 30 percent / ethanol / a) RT, 1h, b) 60 deg C, 6 h7

2: 78 percent / hydrazine hydrate / butan-1-ol / a) RT, 1h, b) reflux, overnight

3: phosphorus oxychloride / 4 h / 85 - 95 °C

With hydrazine hydrate; trichlorophosphate; In ethanol; butan-1-ol;

DOI:10.1021/jm00385a003

upstream raw materials:

6-cyclohexyl-3(2H)-pyridazinone

3,6-dichlorpyridazine

cyclohexylzinc(II) bromide

Cyclohexyl methyl ketone

Downstream raw materials:

6-Amino-3-cyclohexyl-1-(3-ethoxycarbonyl-propyl)-pyridazin-1-ium; bromide

2-(carboxy-3'-propyl)-3-amino-6-cyclohexylpyridazinium bromide

6-Cyclohexyl-pyridazin-3-ylamine