3-Chloro-4-methyl-6-phenylpyridazine

Base Information

• Chemical Name: 3-Chloro-4-methyl-6-phenylpyridazine
• CAS No.: 28657-39-8
• Molecular Formula: C11H9 Cl N2
• Molecular Weight: 204.659
• Hs Code.: 2933990090
• European Community (EC) Number: 249-130-1
• DSSTox Substance ID: DTXSID40182814
• Nikkaji Number: J250.749H
• Wikidata: Q83053517
• Mol file: 28657-39-8.mol

Synonyms:3-Chloro-4-methyl-6-phenylpyridazine;28657-39-8;Pyridazine, 3-chloro-4-methyl-6-phenyl-;EINECS 249-130-1;C11H9ClN2;Pyridazine,3-chloro-4-methyl-6-phenyl-;SCHEMBL581917;C11-H9-Cl-N2;DTXSID40182814;AC5806;MFCD09907697;STL576543;AKOS016037661;3-chloro 4-methyl 6-phenyl pyridazine;3-chloro-4-methyl-6-phenyl pyridazine;AS-80801;SY129749;CS-0450471;A924620

Chemical Property of 3-Chloro-4-methyl-6-phenylpyridazine

Chemical Property:

• Vapor Pressure: 1.82E-05mmHg at 25°C
• Boiling Point: 374.2°Cat760mmHg
• Flash Point: 211.9°C
• PSA: 25.78000
• Density: 1.208g/cm³
• LogP: 3.10540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.0454260
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-4-methyl-6-phenylpyridazine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN=C1Cl)C2=CC=CC=C2

Technology Process of 3-Chloro-4-methyl-6-phenylpyridazine

There total 12 articles about 3-Chloro-4-methyl-6-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: 96.0%

4-methyl-6-phenylpyridazin-3(2H)-one (13300-09-9) → 3-chloro-4-methyl-6-phenylpyridazine (28657-39-8)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 2.5h; Heating;

DOI:10.1016/j.bmcl.2006.10.028

Reference yield: 30.0%

3,6-dichloro-4-methylpyridazine (19064-64-3) + phenylboronic acid (98-80-6) → 3-chloro-4-methyl-6-phenylpyridazine (28657-39-8) + 3-chloro-5-methyl-6-phenylpyridazine (67820-83-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,2-dimethoxyethane; water; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03064

Reference yield: 24.0%

tert.-butylhydroperoxide (75-91-2) + 3-chloro-6-phenylpyradazine (20375-65-9) + acetaldehyde (75-07-0,9002-91-9) → 3-chloro-4-methyl-6-phenylpyridazine (28657-39-8) + 4-Acetyl-3-chloro-6-phenylpyridazine

Guidance literature:

With sulfuric acid; dihydrogen peroxide; iron(II) sulfate; In acetone; at 30 - 35 ℃; for 0.0833333h;

DOI:10.1016/S0040-4039(00)79259-8

upstream raw materials:

tert.-butylhydroperoxide

3-chloro-6-phenylpyradazine

acetaldehyde

4-methyl-6-phenylpyridazin-3(2H)-one

Downstream raw materials:

4-methyl-6-phenylpyridazine

(4-Methyl-6-phenyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)-amine; hydrochloride

(4-Methyl-6-phenyl-pyridazin-3-yl)-(3-morpholin-4-yl-propyl)-amine; hydrochloride

(4-Methyl-6-phenyl-pyridazin-3-yl)-(6-phenyl-pyridazin-3-yl)-amine

Refernces

• 1、 Kanchupalli, Vinaykumar,Joseph, Desna,Katukojvala, Sreenivas. "Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles". supporting information. p. 5878 - 5881. Retrieved 2015/12/11.
• 2、 -. "FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE". Page/Page column 116. . Retrieved 2010/11/29.