3-Methyl-7-phenylisoxazolo[4,5-d]pyridazin-4(5H)-one

Base Information

Chemical Name:3-Methyl-7-phenylisoxazolo[4,5-d]pyridazin-4(5H)-one
CAS No.:129663-23-6
Molecular Formula:C12H9N3O2
Molecular Weight:227.222
Hs Code.:
DSSTox Substance ID:DTXSID401216737
Nikkaji Number:J339.822F

Synonyms:3-Methyl-7-phenylisoxazolo[4,5-d]pyridazin-4(5H)-one;DTXSID401216737;129663-23-6

Suppliers and Price of 3-Methyl-7-phenylisoxazolo[4,5-d]pyridazin-4(5H)-one

Supply Marketing:

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

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Chemical Property of 3-Methyl-7-phenylisoxazolo[4,5-d]pyridazin-4(5H)-one

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:227.069476538
Heavy Atom Count:17
Complexity:350

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC2=C1C(=O)NN=C2C3=CC=CC=C3

Technology Process of 3-Methyl-7-phenylisoxazolo[4,5-d]pyridazin-4(5H)-one

There total 4 articles about 3-Methyl-7-phenylisoxazolo[4,5-d]pyridazin-4(5H)-one 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: 66.0%

: 129663-14-5
5-Benzoyl-3-methyl-isoxazole-4-carboxylic acid ethyl ester

: 129663-23-6
3-Methyl-7-phenyl-5H-isoxazolo[4,5-d]pyridazin-4-one

Guidance literature:: With hydrazine hydrate; In ethanol; for 4h; Ambient temperature;

Reference yield:

: 129663-11-2
5-(Hydroxy-phenyl-methyl)-3-methyl-isoxazole-4-carboxylic acid ethyl ester

: 129663-23-6
3-Methyl-7-phenyl-5H-isoxazolo[4,5-d]pyridazin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / Jones' reagent / acetone / 4 h / Ambient temperature

2: 66 percent / hydrazine hydrate / ethanol / 4 h / Ambient temperature

With jones' reagent; hydrazine hydrate; In ethanol; acetone;

Reference yield:

: (E)-2-(2-Acetoxy-2-phenyl-acetyl)-3-methylamino-but-2-enoic acid ethyl ester

: 129663-23-6
3-Methyl-7-phenyl-5H-isoxazolo[4,5-d]pyridazin-4-one

Guidance literature:: Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride, acetic acid / 0.5 h / Heating

2: 90 percent / Jones' reagent / acetone / 4 h / Ambient temperature

3: 66 percent / hydrazine hydrate / ethanol / 4 h / Ambient temperature

With jones' reagent; hydroxylamine hydrochloride; hydrazine hydrate; acetic acid; In ethanol; acetone;