3H-Imidazo(4,5-h)quinazoline-6-thiol

Base Information

• Chemical Name: 3H-Imidazo(4,5-h)quinazoline-6-thiol
• CAS No.: 53449-50-6
• Molecular Formula: C9H6N4S
• Molecular Weight: 202.2357
• NSC Number: 248557
• UNII: 6J2EU6410A
• DSSTox Substance ID: DTXSID60201612

Synonyms:3H-Imidazo(4,5-h)quinazoline-6-thiol;53449-50-6;6J2EU6410A;NSC248557;NSC 248557;3H-Imidazo[4,5-h]quinazoline-6-thiol;UNII-6J2EU6410A;NSC-248557;DTXSID60201612;1,7-DIHYDRO-6H-IMIDAZO(4,5-H)QUINAZOLINE-6-THIONE;6H-IMIDAZO(4,5-H)QUINAZOLINE-6-THIONE, 1,7-DIHYDRO-

Chemical Property of 3H-Imidazo(4,5-h)quinazoline-6-thiol

Chemical Property:

• Vapor Pressure: 1.1E-12mmHg at 25°C
• Boiling Point: 562.6°Cat760mmHg
• Flash Point: 294°C
• Density: 1.69g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.03131738
• Heavy Atom Count: 14
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C3=C1C(=S)N=CN3)N=CN2

Technology Process of 3H-Imidazo(4,5-h)quinazoline-6-thiol

There total 6 articles about 3H-Imidazo(4,5-h)quinazoline-6-thiol 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-bromo-7-chloro-8-nitroquinazolin-4(3H)-one (174709-22-9) → 1H-imidazo<4,5-h>quinazoline-6(7H)-thione (53449-50-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 67 percent / NH₃ (gas) / butan-1-ol / 36 h / 175 °C

2: H₂, aq. KOH / 5percent Pd/C / methanol

3: 3 h / Heating

4: P₂S₅, pyridine / 16 h / Heating

With pyridine; potassium hydroxide; tetraphosphorus decasulfide; ammonia; hydrogen; palladium on activated charcoal; In methanol; butan-1-ol;

DOI:10.1021/jm950692f

Reference yield:

7-amino-6-bromo-8-nitroquinazolin-4(3H)-one (174709-23-0) → 1H-imidazo<4,5-h>quinazoline-6(7H)-thione (53449-50-6)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂, aq. KOH / 5percent Pd/C / methanol

2: 3 h / Heating

3: P₂S₅, pyridine / 16 h / Heating

With pyridine; potassium hydroxide; tetraphosphorus decasulfide; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/jm950692f

Reference yield:

6-bromo-7-chloroquinazolin-4(3H)-one (17518-95-5) → 1H-imidazo<4,5-h>quinazoline-6(7H)-thione (53449-50-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 58 percent / conc. H₂SO₄, fuming HNO₃ / 3 h / 100 °C

2: 67 percent / NH₃ (gas) / butan-1-ol / 36 h / 175 °C

3: H₂, aq. KOH / 5percent Pd/C / methanol

4: 3 h / Heating

5: P₂S₅, pyridine / 16 h / Heating

With pyridine; potassium hydroxide; tetraphosphorus decasulfide; sulfuric acid; ammonia; hydrogen; nitric acid; palladium on activated charcoal; In methanol; butan-1-ol;

DOI:10.1021/jm950692f

upstream raw materials:

1H-imidazo<4,5-h>quinazolin-6(7H)-one

7,8-diaminoquinazolin-4(3H)-one

6-bromo-7-chloro-8-nitroquinazolin-4(3H)-one

7-amino-6-bromo-8-nitroquinazolin-4(3H)-one

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