Phenyl 1-cyanophthalazine-2(1H)-carboxylate

Base Information

Chemical Name:Phenyl 1-cyanophthalazine-2(1H)-carboxylate
CAS No.:105937-05-1
Molecular Formula:C₁₆H₁₁N₃O₂
Molecular Weight:277.282
Hs Code.:
DSSTox Substance ID:DTXSID80545222

Synonyms:105937-05-1;Phenyl 1-cyanophthalazine-2(1H)-carboxylate;DTXSID80545222

Suppliers and Price of Phenyl 1-cyanophthalazine-2(1H)-carboxylate

Supply Marketing:

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

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Chemical Property of Phenyl 1-cyanophthalazine-2(1H)-carboxylate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:277.085126602
Heavy Atom Count:21
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)OC(=O)N2C(C3=CC=CC=C3C=N2)C#N

Technology Process of Phenyl 1-cyanophthalazine-2(1H)-carboxylate

There total 2 articles about Phenyl 1-cyanophthalazine-2(1H)-carboxylate 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%

: 253-52-1
PHTHALAZINE

: 151-50-8
potassium cyanide

: 1885-14-9
phenyl chloroformate

: 105937-05-1
1,2-dihydro-2-phenoxycarbonylphthalazine-1-carbonitrile

Guidance literature:: With benzyltrimethylammonium chloride; In dichloromethane; water; for 8.5h;

Reference yield:

: 643-79-8
o-phthalic dicarboxaldehyde

: 105937-05-1
1,2-dihydro-2-phenoxycarbonylphthalazine-1-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / N₂H₄*H₂O / ethanol / 1.) 0 deg C, 1 h, 2.) r.t., 2 h,

2: 25 percent / benzyltrimethylammonium chloride / CH₂Cl₂; H₂O / 8.5 h

With benzyltrimethylammonium chloride; hydrazine hydrate; In ethanol; dichloromethane; water;