4-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide

Base Information

• Chemical Name: 4-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide
• CAS No.: 10073-94-6
• Molecular Formula: C16H14N4O2
• Molecular Weight: 294.313
• DSSTox Substance ID: DTXSID90566524
• Wikidata: Q82452173
• Mol file: 10073-94-6.mol

Synonyms:4-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide;10073-94-6;4-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzohydrazide;DTXSID90566524

Chemical Property of 4-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 294.11167570
• Heavy Atom Count: 22
• Complexity: 483

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)NN

Technology Process of 4-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide

There total 6 articles about 4-(2-Methyl-4-oxoquinazolin-3(4H)-yl)benzohydrazide 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: 33.0%

ethyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate (4005-02-1) → 4-(2-methyl-4-oxoquinazoline-3-yl)benzoic acid hydrazide (10073-94-6)

Guidance literature:

With hydrazine hydrate; In ethanol; benzene; for 1h; Ambient temperature;

DOI:10.1002/jps.2600730731

Reference yield:

4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoyl chloride (863988-62-9) → 4-(2-methyl-4-oxoquinazoline-3-yl)benzoic acid hydrazide (10073-94-6)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

DOI:10.1002/jhet.5570420539

Reference yield:

4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid (4005-05-4) → 4-(2-methyl-4-oxoquinazoline-3-yl)benzoic acid hydrazide (10073-94-6)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / 3 h / Heating

2: Heating

3: hydrazine hydrate / ethanol / Heating

With thionyl chloride; hydrazine hydrate; In ethanol;

upstream raw materials:

ethyl 4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoate

4-(2-methyl-4-oxo-4H-quinazolin-3-yl)-benzoyl chloride

4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid

anthranilic acid

Downstream raw materials:

3-[4-(5-Mercapto-4-p-tolyl-4H-[1,2,4]triazol-3-yl)-phenyl]-2-methyl-3H-quinazolin-4-one

C₂₄H₂₁N₅O₂S

C₂₄H₂₁N₅O₂S

3-[4-(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-yl)-phenyl]-2-methyl-3H-quinazolin-4-one