3-Chloro-5-phenylpyridazine

Base Information

• Chemical Name: 3-Chloro-5-phenylpyridazine
• CAS No.: 86663-08-3
• Molecular Formula: C10H7ClN2
• Molecular Weight: 190.632
• DSSTox Substance ID: DTXSID601309930
• Nikkaji Number: J3.250.135D
• Mol file: 86663-08-3.mol

Synonyms:3-Chloro-5-phenylpyridazine;86663-08-3;3-chloro-5-phenyl-pyridazine;Pyridazine, 3-chloro-5-phenyl-;SCHEMBL5114621;YUALUOPIVGNCMF-UHFFFAOYSA-N;DTXSID601309930;MFCD26401261;AKOS022187428;SB39173;CS-0340240;FT-0736482;C91042;EN300-186814;Z1813159118

Chemical Property of 3-Chloro-5-phenylpyridazine

Chemical Property:

• PSA: 25.78000
• LogP: 2.79700
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.0297759
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-phenyl-pyridazine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NN=C2)Cl
• Uses: 3-Chloro-5-phenylpyridazine is a useful synthetic intermediate.

Technology Process of 3-Chloro-5-phenylpyridazine

There total 7 articles about 3-Chloro-5-phenylpyridazine 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: 86.0%

3,5-dichloropyridazine (1837-55-4) + phenylboronic acid (98-80-6) → 3-chloro-5-phenyl-pyridazine (86663-08-3)

Guidance literature:

With potassium fluoride; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; palladium diacetate; In water; toluene; at 70 ℃; for 22h; Inert atmosphere;

Reference yield: 76.2%

3,5-dichloropyridazine (1837-55-4) + phenylboronic acid (98-80-6) → 3,5-Diphenylpyridazine (1026-46-6) + 5-chloro-3-phenylpyridazine (1426548-41-5) + 3-chloro-5-phenyl-pyridazine (86663-08-3)

Guidance literature:

With potassium fluoride; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; palladium diacetate; In water; toluene; at 70 ℃; for 20h; Reagent/catalyst; Temperature; Inert atmosphere;

DOI:10.1021/jo401096u

Reference yield: 65.0%

5-phenylpyridazin-3(2H)-one (78920-21-5) → 3-chloro-5-phenyl-pyridazine (86663-08-3)

Guidance literature:

With trichlorophosphate; at 60 ℃; for 3h;

DOI:10.1021/jm050703x

upstream raw materials:

5-phenylpyridazin-3(2H)-one

phenylboronic acid

4-phenyl-5-hydroxy-2-(5H)-furanone

phenylacetaldehyde

Downstream raw materials:

3-hydrazino-5-phenylpyridazine

N¹-(5-phenyl-pyridazin-3-yl)-hexane-1,6-diamine