3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide

Base Information

• Chemical Name: 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide
• CAS No.: 40889-60-9
• Molecular Formula: C₁₉H₁₇Cl₂N₅O₂S
• Molecular Weight: 450.348
• DSSTox Substance ID: DTXSID90193874
• Mol file: 40889-60-9.mol

Synonyms:BRN 0865056;3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide;40889-60-9;DTXSID90193874;LS-139974

Chemical Property of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide

Chemical Property:

• Density: 1.48g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 449.0480014
• Heavy Atom Count: 29
• Complexity: 684

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=NC3=C(C=CC(=C3C2=O)Cl)Cl)C

Technology Process of 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide

There total 1 articles about 3(4H)-Quinazolineacetic acid, 6,8-dichloro-2-methyl-4-oxo-, 2-(((4-methylphenyl)amino)thioxomethyl)hydrazide 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:

→ 1-[(6,8-dichloro-2-methyl-4-oxo-4H-quinazolin-3-yl)-acetyl]-4-p-tolyl-thiosemicarbazide (40889-60-9)

Guidance literature:

6.8-Dichlorchinazolon-hydrazid (10), p-Toluyl-isothiocyanat in A.;

DOI:10.1002/jps.2600620415

Reference yield:

1-[(6,8-dichloro-2-methyl-4-oxo-4H-quinazolin-3-yl)-acetyl]-4-p-tolyl-thiosemicarbazide (40889-60-9) → 6,8-dichloro-2-methyl-3-[5-(4-methyl-anilino)-[1,3,4]oxadiazol-2-ylmethyl]-3H-quinazolin-4-one (40889-68-7)

Guidance literature:

With sodium hydroxide; iodine; potassium iodide; In ethanol; Heating;

DOI:10.1002/jps.2600620415

Downstream raw materials:

6,8-dichloro-2-methyl-3-[5-(4-methyl-anilino)-[1,3,4]oxadiazol-2-ylmethyl]-3H-quinazolin-4-one

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