3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylethynyl)-

Base Information

Chemical Name:3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylethynyl)-
CAS No.:407577-73-5
Molecular Formula:C13H9ClN2O
Molecular Weight:244.68
Hs Code.:
DSSTox Substance ID:DTXSID10457662
Nikkaji Number:J1.642.908B
Wikidata:Q82280598
Mol file:407577-73-5.mol

Synonyms:407577-73-5;4-Chloro-2-methyl-5-(phenylethynyl)pyridazin-3(2H)-one;3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylethynyl)-;GNYAOHMKGKILQM-UHFFFAOYSA-;DTXSID10457662;2-Methyl-4-chloro-5-(phenylethynyl)pyridazine-3(2H)-one;InChI=1/C13H9ClN2O/c1-16-13(17)12(14)11(9-15-16)8-7-10-5-3-2-4-6-10/h2-6,9H,1H3

Suppliers and Price of 3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylethynyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylethynyl)-

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:244.0403406
Heavy Atom Count:17
Complexity:447

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=O)C(=C(C=N1)C#CC2=CC=CC=C2)Cl

Technology Process of 3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylethynyl)-

There total 3 articles about 3(2H)-Pyridazinone, 4-chloro-2-methyl-5-(phenylethynyl)- 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: 83.0%

: 536-74-3
phenylacetylene

: 877932-29-1
4-chloro-2-methyl-5-trifluoromethanesulfonyloxy-3(2H)-pyridazinone

: 407577-73-5
4-chloro-2-methyl-5-phenylethynyl-pyridazin-3(2H)-one

Guidance literature:: With copper(l) iodide; Pd₂(PPh₃)2Cl₂; tetra-(n-butyl)ammonium iodide; triethylamine; In tetrahydrofuran; at 20 ℃; for 2h;
DOI:10.1016/S0040-4020(01)01030-4

Reference yield:

: 14628-57-0
4-chloro-5-methoxy-2-methyl-2H-pyridazin-3-one

: 407577-73-5
4-chloro-2-methyl-5-phenylethynyl-pyridazin-3(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: KOH / H₂O / Heating

2: Et₃N / CH₂Cl₂ / 0.5 h / -5 °C

3: 83 percent / Pd₂Cl₂(PPh₃)2; CuI; n-Bu₄NI / Et₃N / tetrahydrofuran / 2 h / 20 °C

With potassium hydroxide; copper(l) iodide; Pd₂(PPh₃)2Cl₂; tetra-(n-butyl)ammonium iodide; triethylamine; triethylamine; In tetrahydrofuran; dichloromethane; water; 3: Sonogashira cross-coupling reaction;
DOI:10.1016/S0040-4020(01)01030-4

Reference yield:

: 6794-38-3
4-chloro-5-hydroxy-2-methyl-2H-pyridazin-3-one

: 407577-73-5
4-chloro-2-methyl-5-phenylethynyl-pyridazin-3(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0.5 h / -5 °C

2: 83 percent / Pd₂Cl₂(PPh₃)2; CuI; n-Bu₄NI / Et₃N / tetrahydrofuran / 2 h / 20 °C

With copper(l) iodide; Pd₂(PPh₃)2Cl₂; tetra-(n-butyl)ammonium iodide; triethylamine; triethylamine; In tetrahydrofuran; dichloromethane; 2: Sonogashira cross-coupling reaction;
DOI:10.1016/S0040-4020(01)01030-4