2-(6-Chloropyridazin-3-yl)-2-(2,6-dichlorophenyl)acetonitrile

Base Information

• Chemical Name: 2-(6-Chloropyridazin-3-yl)-2-(2,6-dichlorophenyl)acetonitrile
• CAS No.: 209412-06-6
• Molecular Formula: C12H6 Cl3 N3
• Molecular Weight: 298.559
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20373066
• Nikkaji Number: J2.782.480C
• Mol file: 209412-06-6.mol

Synonyms:209412-06-6;2-(6-chloropyridazin-3-yl)-2-(2,6-dichlorophenyl)acetonitrile;2-(6-Chloro-3-pyridazinyl)-2-(2,6-dichlorophenyl)-acetonitrile;2-(6-chloro-3-pyridazinyl)-2-(2,6-dichlorophenyl)acetonitrile;Oprea1_079927;SCHEMBL864721;DTXSID20373066;PFYNTACQTVXRTH-UHFFFAOYSA-N;MFCD00202119;AKOS000280379;AKOS016038174;AMINO-(4-NITRO-PHENYL)-ACETICACID;CS-0336484;1F-066;A815038;J-506161;(6-Chloropyridazin-3-yl)(2,6-dichlorophenyl)acetonitrile;(6-chloro-pyridazin-3-yl)-(2,6-dichloro-phenyl)-acetonitrile;2-(2,6-dichlorophenyl)-2-(6-chloropyridazin-3-yl)acetonitrile;6-Chloro-alpha-(2,6-dichlorophenyl)-3-pyridazineacetonitrile;2-(6-Chloropyridazine-3-yl)-2-(2,6-dichlorophenyl)acetonitrile

Chemical Property of 2-(6-Chloropyridazin-3-yl)-2-(2,6-dichlorophenyl)acetonitrile

Chemical Property:

• Melting Point: 142-144°C
• PSA: 49.57000
• LogP: 4.09228
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 296.962730
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

98%min ^*data from raw suppliers

2-(6-Chloro-3-pyridazinyl)-2-(2,6-dichlorophenyl)-acetonitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C(C#N)C2=NN=C(C=C2)Cl)Cl

Technology Process of 2-(6-Chloropyridazin-3-yl)-2-(2,6-dichlorophenyl)acetonitrile

There total 1 articles about 2-(6-Chloropyridazin-3-yl)-2-(2,6-dichlorophenyl)acetonitrile 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: 81.0%

3,6-dichlorpyridazine (141-30-0) + 2,6-dichlorophenylacetonitrile (3215-64-3) → 6-chloro-α-(2,6-dichlorophenyl)pyridazine-3-acetonitrile (209412-06-6)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 0 - 75 ℃;

Reference yield: 92.0%

2,4-difluorothiophenol (1996-44-7) + 6-chloro-α-(2,6-dichlorophenyl)pyridazine-3-acetonitrile (209412-06-6) → α-(2,6-dichlorophenyl)-α-[6-(2,4-difluorophenylthio)-3-pyridazinyl]acetonitrile (209412-22-6)

Guidance literature:

With trans-1,2-cyclohexandiol; potassium carbonate; In isopropyl alcohol; at 120 ℃; for 3h; Microwave irradiation;

DOI:10.1021/jo9017155

Reference yield: 72.0%

thiophenol (108-98-5) + 6-chloro-α-(2,6-dichlorophenyl)pyridazine-3-acetonitrile (209412-06-6) → α-(2,6-dichlorophenyl)-6-(phenylthio)pyridazine-3-acetonitrile (209412-07-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 100 ℃; for 0.75h;

DOI:10.3390/61200959

upstream raw materials:

3,6-dichlorpyridazine

2,6-dichlorophenylacetonitrile

Downstream raw materials:

α-(2,6-dichlorophenyl)-6-(phenylthio)pyridazine-3-acetonitrile

α-(2,6-dichlorophenyl)-α-[6-(2,4-difluorophenylthio)-3-pyridazinyl]acetonitrile

C₁₈H₁₁N₃SF₂OCl₂

α-(2,6-dichlorophenyl)-6-(phenylthio)pyridazine-3-acetamide

Refernces

• 1、 -. "NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF". Paragraph 0183-0184. . Retrieved 2021/10/07.
• 2、 Bagley, Mark C.,Davis, Terence,Dix, Matthew C.,Fusillo, Vincenzo,Pigeaux, Morgane,Rokicki, Michal J.,Kipling, David. "Microwave-assisted Ullmann C-S bond formation: Synthesis of the P38α MAPK clinical candidate VX-745". experimental part. p. 8336 - 8342. Retrieved 2010/03/01.