(8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione

Base Information

• Chemical Name: (8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
• CAS No.: 799786-59-7
• Molecular Formula: C₂₁H₁₈F₂N₂S
• Molecular Weight: 368.45
• DSSTox Substance ID: DTXSID301327175
• ChEMBL ID: CHEMBL1310240

Synonyms:MLS000769890;CHEMBL1310240;DTXSID301327175;HMS2790N16;STL337431;AKOS022131843;(8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione;799786-59-7;SMR000434623;(8E)-8-(3-fluorobenzylidene)-4-(3-fluorophenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione;(E)-8-(3-fluorobenzylidene)-4-(3-fluorophenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione;4-(3-Fluoro-phenyl)-8-[1-(3-fluoro-phenyl)-meth-(E)-ylidene]-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thi one

Chemical Property of (8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 368.11587608
• Heavy Atom Count: 26
• Complexity: 615

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=CC2=CC(=CC=C2)F)C3=C(C1)C(NC(=S)N3)C4=CC(=CC=C4)F
• Isomeric SMILES: C1C/C(=C\C2=CC(=CC=C2)F)/C3=C(C1)C(NC(=S)N3)C4=CC(=CC=C4)F

Technology Process of (8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione

There total 1 articles about (8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-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:

2,6-bis(3-fluorobenzylidene)cyclohexanone (565416-89-9) + thiourea (17356-08-0) → C21H18F2N2S (799786-59-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 5h; Reflux;

DOI:10.1021/jm901004c

Reference yield: 67.3%

C21H18F2N2S (799786-59-7) + chloroacetic acid (79-11-8) → (E)-9-(3-fluorobenzylidene)-5-(3-fluorophenyl)-6,7,8,9-tetrahydro-2H-thiazolo[2,3-b]quinazolin-3(5H)-one (1222377-34-5)

Guidance literature:

With sodium acetate; acetic anhydride; acetic acid; for 2h; Reflux;

DOI:10.1021/jm901004c

upstream raw materials:

2,6-bis(3-fluorobenzylidene)cyclohexanone

thiourea

Downstream raw materials:

(E)-9-(3-fluorobenzylidene)-5-(3-fluorophenyl)-6,7,8,9-tetrahydro-2H-thiazolo[2,3-b]quinazolin-3(5H)-one

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