Ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate

Base Information

Chemical Name:Ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
CAS No.:152567-95-8
Molecular Formula:C₁₇H₁₄N₂O₃
Molecular Weight:294.31
Hs Code.:
DSSTox Substance ID:DTXSID501229197
ChEMBL ID:CHEMBL1608290

Synonyms:ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate;SMR000024135;Oprea1_493724;Oprea1_788344;MLS000088515;CHEMBL1608290;DTXSID501229197;HMS2485J14;STK088910;AKOS005394239;152567-95-8;EU-0072402;SR-01000441393;SR-01000441393-1;Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate

Suppliers and Price of Ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate

Supply Marketing:

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

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Chemical Property of Ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:294.10044231
Heavy Atom Count:22
Complexity:467

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

Technology Process of Ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate

There total 2 articles about Ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate 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: 52.0%

: 64-17-5
ethanol

: 152567-94-7
4-(4-Oxo-3,4-dihydro-phthalazin-1-yl)-benzoic acid

: 152567-95-8
4-(4-Oxo-3,4-dihydro-phthalazin-1-yl)-benzoic acid ethyl ester

Guidance literature:: With sulfuric acid; for 12h; Heating;
DOI:10.1021/jm00077a008

Reference yield:

: 85-58-5
2,4'-dicarboxybenzophenone

: 152567-95-8
4-(4-Oxo-3,4-dihydro-phthalazin-1-yl)-benzoic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / 80percent N₂H₄*H₂O / ethanol / 3 h / Heating

2: 52 percent / conc. H₂SO₄ / 12 h / Heating

With sulfuric acid; hydrazine hydrate; In ethanol;
DOI:10.1021/jm00077a008