2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetohydrazide

Base Information

• Chemical Name: 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetohydrazide
• CAS No.: 126080-81-7
• Molecular Formula: C₁₆H₁₄N₄O₂
• Molecular Weight: 294.313
• European Community (EC) Number: 644-909-6
• DSSTox Substance ID: DTXSID201328106
• ChEMBL ID: CHEMBL1568164
• Mol file: 126080-81-7.mol

Synonyms:2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetohydrazide;126080-81-7;CBMicro_043944;Cambridge id 6043713;2-(1-oxo-4-phenylphthalazin-2-yl)acetohydrazide;Oprea1_339589;MLS001196997;CHEMBL1568164;DTXSID201328106;HMS2878J07;AKOS001656334;SMR000555622;BIM-0044079.P001;2-(1-OXO-4-PHENYL-2(1H)-PHTHALAZINYL)ACETOHYDRAZIDE;2-(1-OXO-4-PHENYL-1,2-DIHYDROPHTHALAZIN-2-YL)ACETOHYDRAZIDE

Chemical Property of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetohydrazide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 294.11167570
• Heavy Atom Count: 22
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NN

Technology Process of 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetohydrazide

There total 2 articles about 2-(1-oxo-4-phenylphthalazin-2(1H)-yl)acetohydrazide 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: 75.0%

[4-phenyl-1(2H)-oxophthalazin-2-yl]acetic acid ethyl ester (126081-03-6) → [4-phenyl-1(2H)-oxo-phthalazin-2-yl]acetic acid hydrazide (126080-81-7)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Heating;

Reference yield:

4-phenyl-2H-phthalazin-1-one (5004-45-5) → [4-phenyl-1(2H)-oxo-phthalazin-2-yl]acetic acid hydrazide (126080-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / NaOC₂H₅ / ethanol / 2 h / Heating

2: 75 percent / hydrazine hydrate / ethanol / 3 h / Heating

With sodium ethanolate; hydrazine hydrate; In ethanol;

Reference yield: 95.0%

1,1,2,2-tetrachloroethylene (127-18-4) + [4-phenyl-1(2H)-oxo-phthalazin-2-yl]acetic acid hydrazide (126080-81-7) → (1-Oxo-4-phenyl-1H-phthalazin-2-yl)-acetic acid N'-(tris-{N'-[2-(1-oxo-4-phenyl-1H-phthalazin-2-yl)-acetyl]-hydrazino}-vinyl)-hydrazide (126080-90-8)

Guidance literature:

With N,N-dimethyl-formamide; for 4h; Heating;

upstream raw materials:

[4-phenyl-1(2H)-oxophthalazin-2-yl]acetic acid ethyl ester

4-phenyl-2H-phthalazin-1-one

Downstream raw materials:

(1-Oxo-4-phenyl-1H-phthalazin-2-yl)-acetic acid [1-pyridin-4-yl-eth-(E)-ylidene]-hydrazide

3,4-dihydro-5-mercapto-4-<1'(2'H)-oxo-4'-phenylphthalazin-2'-yl>pyrazol-3(1H)-one

4-(1-Oxo-4-phenyl-1H-phthalazin-2-yl)-2H-pyridazine-3,5-dione

1,2-bis<1'(2'H)-oxo-4'-phenylphthalazin-2'-yl>ethanone