5-[(Benzoyloxy)phenylmethyl]-3-pyridazinecarbonitrile

Base Information

Chemical Name:5-[(Benzoyloxy)phenylmethyl]-3-pyridazinecarbonitrile
CAS No.:106584-52-5
Molecular Formula:C₁₉H₁₃N₃O₂
Molecular Weight:315.331
Hs Code.:
DSSTox Substance ID:DTXSID101212831

Synonyms:5-[(Benzoyloxy)phenylmethyl]-3-pyridazinecarbonitrile;DTXSID101212831;106584-52-5

Suppliers and Price of 5-[(Benzoyloxy)phenylmethyl]-3-pyridazinecarbonitrile

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

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Chemical Property of 5-[(Benzoyloxy)phenylmethyl]-3-pyridazinecarbonitrile

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:315.100776666
Heavy Atom Count:24
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C2=CC(=NN=C2)C#N)OC(=O)C3=CC=CC=C3

Technology Process of 5-[(Benzoyloxy)phenylmethyl]-3-pyridazinecarbonitrile

There total 4 articles about 5-[(Benzoyloxy)phenylmethyl]-3-pyridazinecarbonitrile 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: 25.0%

: 106584-46-7,106584-58-1
E,Z-2-benzoyl-5-(benzoyloxy)phenylmethylene-2,5-dihydro-3-pyridazinecarbonitrile

: 106584-52-5
5-(benzyloxy)phenylmethyl-3-pyridazinecarbonitrile

Guidance literature:: With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 20h;

Reference yield:

: 98-88-4
benzoyl chloride

: 106584-52-5
5-(benzyloxy)phenylmethyl-3-pyridazinecarbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 24 percent / CH₂Cl₂

2: 60 percent / silica gel / ethyl acetate; light petroleum

3: 15 percent / potassium cyanide, benzyltriethylammonium chloride / CH₂Cl₂; H₂O / 52 h

4: 25 percent / 5N aq. KOH, benzyltriethylammonium chloride / CH₂Cl₂ / 20 h

With potassium cyanide; potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; silica gel; In dichloromethane; water; ethyl acetate; Petroleum ether;

Reference yield:

: 106584-48-9
2-benzoyl-2,3-dihydro-3-pyridazinecarbonitrile

: 106584-52-5
5-(benzyloxy)phenylmethyl-3-pyridazinecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 15 percent / potassium cyanide, benzyltriethylammonium chloride / CH₂Cl₂; H₂O / 52 h

2: 25 percent / 5N aq. KOH, benzyltriethylammonium chloride / CH₂Cl₂ / 20 h

With potassium cyanide; potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; water;