6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione

Base Information

• Chemical Name: 6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione
• CAS No.: 77485-02-0
• Molecular Formula: C14H11ClN2S
• Molecular Weight: 274.774
• DSSTox Substance ID: DTXSID90546987
• Nikkaji Number: J357.723F

Synonyms:77485-02-0;SCHEMBL5205016;6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione;DTXSID90546987

Chemical Property of 6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 274.0331472
• Heavy Atom Count: 18
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=S)N2

Technology Process of 6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione

There total 6 articles about 6-Chloro-4-phenyl-3,4-dihydroquinazoline-2(1H)-thione 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: 85.0%

ammonium thiocyanate (1147550-11-5) + (2-amino-5-chlorophenyl)(phenyl)methanol (1159372-20-9,7039-50-1) → 6-Chloro-4-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazoline (77485-02-0)

Guidance literature:

In hydrogenchloride; at 80 ℃; for 1.5h;

Reference yield: 43.0%

4-chloro-2-[(imidazolidin-2-ylideneamino)phenylmethyl]aniline + carbon disulfide (75-15-0,12122-00-8) → 10-chloro-12-phenyl-2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thione + 6-Chloro-4-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazoline (77485-02-0)

Guidance literature:

With triethylamine; In acetone; at 20 ℃;

DOI:10.3987/COM-06-10666

Reference yield: 40.0%

7-Chlor-5-phenyl-2-thioxo-1H-2,3-dihydro-1,3,4-benzotriazepin (73549-45-8) → 6-Chloro-4-phenyl-2-thioxo-1,2,3,4-tetrahydroquinazoline (77485-02-0) + Bis-(6-chlor-4-phenyl-2-thioxo-1,2-dihydrochinazolin-1-yl) (77485-01-9)

Guidance literature:

With acetate buffer; In ethanol; for 5h; Yield given; 1000 mV NCE;

upstream raw materials:

carbon disulfide

2-amino-5-chlorobenzhydrylamine

7-Chlor-5-phenyl-2-thioxo-1H-2,3-dihydro-1,3,4-benzotriazepin

7-Chlor-3-methyl-5-phenyl-2-thioxo-3H-1,2-dihydro-1,3,4-benzotriazepins

Downstream raw materials:

6-Chloro-2-methylthio-4-phenyl-1H-3,4-dihydroquinazoline hydroiodide

6-Chloro-2-ethylthio-4-phenyl-1H-3,4-dihydroquinazoline hydroiodide

6-Chloro-2-hydrazino-4-phenyl-1H-1,4-dihydroquinazoline hydroiodide

6-Chloro-2-<2-(2-nitrobenzylidene)-hydrazino>-4-phenyl-1H-1,4-dihydroquinazoline

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