3-(2,4-dimethylphenyl)-2-hydrazinoquinazolin-4(3H)-one

Base Information

• Chemical Name: 3-(2,4-dimethylphenyl)-2-hydrazinoquinazolin-4(3H)-one
• CAS No.: 77066-13-8
• Molecular Formula: C16H16 N4 O
• Molecular Weight: 280.32
• ChEMBL ID: CHEMBL1605123
• DSSTox Substance ID: DTXSID70407002
• Mol file: 77066-13-8.mol

Synonyms:77066-13-8;3-(2,4-dimethylphenyl)-2-hydrazinoquinazolin-4(3H)-one;3-(2,4-dimethylphenyl)-2-hydrazinyl-3,4-dihydroquinazolin-4-one;3-(2,4-dimethylphenyl)-2-hydrazinylquinazolin-4-one;4(3H)-Quinazolinone,3-(2,4-dimethylphenyl)-2-hydrazinyl-;3-(2,4-DIMETHYLPHENYL)-2-HYDRAZINYLQUINAZOLIN-4(3H)-ONE;MLS000417152;CHEMBL1605123;DTXSID70407002;HMS1780J18;HMS2577F23;AKOS027380019;SMR000264348;CS-0232725;EN300-12833;J-510470;Z85936386

Chemical Property of 3-(2,4-dimethylphenyl)-2-hydrazinoquinazolin-4(3H)-one

Chemical Property:

• Vapor Pressure: 1.77E-09mmHg at 25°C
• Boiling Point: 482.8°C at 760 mmHg
• Flash Point: 245.8°C
• PSA: 72.94000
• Density: 1.29g/cm³
• LogP: 3.06140
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 280.13241115
• Heavy Atom Count: 21
• Complexity: 436

Purity/Quality:

98%Min ^*data from raw suppliers

3-(2,4-DIMETHYLPHENYL)-2-HYDRAZINOQUINAZOLIN-4(3H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN)C

Technology Process of 3-(2,4-dimethylphenyl)-2-hydrazinoquinazolin-4(3H)-one

There total 1 articles about 3-(2,4-dimethylphenyl)-2-hydrazinoquinazolin-4(3H)-one 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: 76.0%

3-(2,4-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one (22458-49-7) → 3-(2,4-Dimethyl-phenyl)-2-hydrazino-3H-quinazolin-4-one (77066-13-8) + 3-(2,4-dimethyl-phenyl)-1H-quinazoline-2,4-dione (60974-88-1)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

Reference yield: 97.0%

thiophosgene (463-71-8) + 3-(2,4-Dimethyl-phenyl)-2-hydrazino-3H-quinazolin-4-one (77066-13-8) → 4-(2,4-Dimethyl-phenyl)-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (85772-36-7)

Guidance literature:

In tetrahydrofuran; for 0.166667h; Heating;

Reference yield: 93.0%

phosgene (75-44-5) + 3-(2,4-Dimethyl-phenyl)-2-hydrazino-3H-quinazolin-4-one (77066-13-8) → 4-(2,4-Dimethyl-phenyl)-1-hydroxy-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (85772-35-6)

Guidance literature:

In toluene; for 3h; Heating;

upstream raw materials:

3-(2,4-Dimethyl-phenyl)-2-mercapto-3H-quinazolin-4-one

Downstream raw materials:

4-(2,4-Dimethyl-phenyl)-1-hydroxy-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(2,4-Dimethyl-phenyl)-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(2,4-Dimethyl-phenyl)-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C₂₃H₂₁N₅OS

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