2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline

Base Information

• Chemical Name: 2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline
• CAS No.: 51123-99-0
• Molecular Formula: C15H11F3N4S
• Molecular Weight: 336.34
• NSC Number: 305782
• UNII: ZAL3KJ3AZC
• DSSTox Substance ID: DTXSID00199145
• Wikidata: Q83072048
• ChEMBL ID: CHEMBL268089
• Mol file: 51123-99-0.mol

Synonyms:2,4-diamino-6-(5-trifluoromethylphenyl)thioquinazoline;WR 159,412;WR 159412;WR-159,412;WR-159412

Chemical Property of 2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline

Chemical Property:

• Vapor Pressure: 6.97E-13mmHg at 25°C
• Boiling Point: 567.2°C at 760 mmHg
• Flash Point: 296.8°C
• Density: 1.51g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 336.06565203
• Heavy Atom Count: 23
• Complexity: 409

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F

Technology Process of 2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline

There total 1 articles about 2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline 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:

→ 6-<<3-(trifluoromethyl)phenyl>thio>-2,4-quinazolinediamine (51123-99-0)

Guidance literature:

Aminonitril (48), Chloroformamidin;

DOI:10.1021/jm00208a010

Reference yield: 92.7%

6-<<3-(trifluoromethyl)phenyl>thio>-2,4-quinazolinediamine (51123-99-0) → 2-amino-6-<<3-(trifluoromethyl)phenyl>thio>-4(3H)-quinazolinone (109890-44-0)

Guidance literature:

With hydrogenchloride; In diethylene glycol dimethyl ether; for 6h; Heating;

DOI:10.1021/jm00394a038

Reference yield: 61.0%

6-<<3-(trifluoromethyl)phenyl>thio>-2,4-quinazolinediamine (51123-99-0) → N2,N4-dihydroxy-6-<<3-(trifluoromethyl)phenyl>thio>-2,4-quinazolinediamine (109890-56-4)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; 1.) 50 deg C 24 h, 2.) 23 deg C, 48 h;

DOI:10.1021/jm00394a038

Downstream raw materials:

2-amino-6-<<3-(trifluoromethyl)phenyl>thio>-4(3H)-quinazolinone

N²,N⁴-dihydroxy-6-<<3-(trifluoromethyl)phenyl>thio>-2,4-quinazolinediamine

2-amino-6-<<3-(trifluoromethyl)phenyl>thio>-4-quinazolinethiol

4-methylthio-6-<<3-(trifluoromethyl)phenyl>thio>-2-quinazolinamine