(6-Chloropyridazin-3-YL)(phenyl)methanone

Base Information

• Chemical Name: (6-Chloropyridazin-3-YL)(phenyl)methanone
• CAS No.: 146233-32-1
• Molecular Formula: C11H7 Cl N2 O
• Molecular Weight: 218.642
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10433784
• Wikidata: Q82248004
• Mol file: 146233-32-1.mol

Synonyms:(6-CHLOROPYRIDAZIN-3-YL)(PHENYL)METHANONE;146233-32-1;(6-chloropyridazin-3-yl)-phenylmethanone;Methanone,(6-chloro-3-pyridazinyl)phenyl-;3-Benzoyl-6-chloropyridazine;DTXSID10433784;AKOS015909895;AB44177;FT-0648396;J-501668

Chemical Property of (6-Chloropyridazin-3-YL)(phenyl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 417.025ºC at 760 mmHg
• PKA: -0.98±0.10(Predicted)
• Flash Point: 206.009ºC
• PSA: 42.85000
• Density: 1.318g/cm3
• LogP: 2.36100
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.0246905
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

(6-Chloropyridazin-3-yl)(phenyl)methanone 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)C(=O)C2=NN=C(C=C2)Cl

Technology Process of (6-Chloropyridazin-3-YL)(phenyl)methanone

There total 4 articles about (6-Chloropyridazin-3-YL)(phenyl)methanone 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: 89.0%

6-chloro-pyridazine-3-carbonyl chloride (6531-04-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-(6-chloropyridazinyl) phenyl ketone (146233-32-1)

Guidance literature:

With aluminium trichloride; for 6h; Heating;

DOI:10.1002/jhet.5570290636

Reference yield: 54.0%

2‐(6‐chloropyridazin‐3‐yl)‐2‐phenylacetonitrile (73535-73-6) → 3-(6-chloropyridazinyl) phenyl ketone (146233-32-1)

Guidance literature:

With sodium hydroxide; oxygen; N-benzyl-N,N,N-triethylammonium chloride; In dimethyl sulfoxide; for 3h; Ambient temperature;

DOI:10.1002/jhet.5570300639

Reference yield:

3,6-dichlorpyridazine (141-30-0) + phenylacetonitrile (140-29-4) → 3-(6-chloropyridazinyl) phenyl ketone (146233-32-1)

Guidance literature:

phenylacetonitrile; With potassium tert-butylate; In N,N-dimethyl acetamide; at 0 ℃; for 0.5h;

3,6-dichlorpyridazine; In N,N-dimethyl acetamide; at 20 ℃; for 1h;

With dihydrogen peroxide; In N,N-dimethyl acetamide; at 0 ℃; for 1h;

DOI:10.1021/jm020583i

upstream raw materials:

2‐(6‐chloropyridazin‐3‐yl)‐2‐phenylacetonitrile

6-chloro-pyridazine-3-carbonyl chloride

benzene

3,6-dichlorpyridazine

Downstream raw materials:

3-amino-6-benzoylpyridazine

2-amino-3-phenyl-6-benzoylimidazo[1,2-b]pyridazine

N-(6-benzoyl)-2H-pyridazin-3-ylidene-4-methylbenzenesulfonamide

2-amino-3-(4-fluorophenyl)-6-benzoylimidazo[1,2-b]pyridazine