4-(4-Methoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
• CAS No.: 65331-20-6
• Molecular Formula: C15H18 N2 O S
• Molecular Weight: 274.3812
• NSC Number: 310661
• DSSTox Substance ID: DTXSID10398425
• Mol file: 65331-20-6.mol

Synonyms:65331-20-6;4-(4-Methoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione;NSC310661;DTXSID10398425;STL192128;AKOS025268528;NSC-310661

Chemical Property of 4-(4-Methoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione

Chemical Property:

• Vapor Pressure: 1.78E-07mmHg at 25°C
• Boiling Point: 426.4°Cat760mmHg
• Flash Point: 211.7°C
• Density: 1.24g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.11398438
• Heavy Atom Count: 19
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2C3=C(CCCC3)NC(=S)N2

Technology Process of 4-(4-Methoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione

There total 4 articles about 4-(4-Methoxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-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: 97.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4-methoxy-benzaldehyde (123-11-5) + thiourea (17356-08-0) → 4-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione (65331-20-6)

Guidance literature:

With chloro-trimethyl-silane; In N,N-dimethyl-formamide; acetonitrile; at 20 ℃;

DOI:10.1002/ejoc.200400845

Reference yield: 84.0%

2-(4-methoxybenzylidene)cyclohexanone (5765-29-7,37722-53-5) + thiourea (17356-08-0) → 4-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione (65331-20-6)

Guidance literature:

2-(4-methoxybenzylidene)cyclohexanone; thiourea; With potassium hydroxide; In ethanol; for 4h; Reflux;

With acetic acid; In ethanol; water;

DOI:10.1002/ardp.200700153

Reference yield: 57.0%

E-2-(4-methoxybenzylidene)cyclohexanone (5765-29-7,37722-53-5) + thiourea (17356-08-0) → 4-(4-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione (65331-20-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

DOI:10.1515/HC.2006.12.5.389

upstream raw materials:

cyclohexanone

4-methoxy-benzaldehyde

thiourea

E-2-(4-methoxybenzylidene)cyclohexanone

Downstream raw materials:

4-(4-methoxyphenyl)-3-(1-naphthylsulfonyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

4-(4-methoxyphenyl)-3-methylsulfonyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

4-(4-methoxyphenyl)-3-(4-chlorophenylsulfonyl)-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

4-(4-methoxyphenyl)-3-phenylsulfonyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione