3-(4-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Base Information

• Chemical Name: 3-(4-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
• CAS No.: 111423-08-6
• Molecular Formula: C₁₆H₁₃ClN₂OS₂
• Molecular Weight: 348.877
• Mol file: 111423-08-6.mol

Synonyms:3-(4-chlorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]-pyrimidin-4-one

Chemical Property of 3-(4-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Chemical Property:

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(4-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

There total 13 articles about 3-(4-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 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: 93.0%

N1-(3-carbethoxy-4,5,6,7-tetrahydrobenzothien-2-yl)-N2-p-chlorophenylthiourea (111423-07-5) → 3-(4-chlorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]-pyrimidin-4-one (111423-08-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 2h; Heating;

Reference yield: 85.0%

4-Chlorophenyl isothiocyanate (2131-55-7) + 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (5936-58-3) → 3-(4-chlorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]-pyrimidin-4-one (111423-08-6)

Guidance literature:

With acetic acid; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.13005/ojc/300209

Reference yield:

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (4506-71-2) → 3-(4-chlorophenyl)-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]-pyrimidin-4-one (111423-08-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 70 percent / 0.01 h / microwave irradiation

2.1: potassium hydroxide / ethanol / 1 h / Heating

2.2: aq. HCl / 0.5 h / 20 °C

With potassium hydroxide; In ethanol;

DOI:10.3390/11070498

upstream raw materials:

ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

N-(4-chlorophenyl)-S-methyldithiocarbamate

3-(4-Chloro-phenyl)-4-imino-3,4,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidine-2-thione

4-Chlorophenyl isothiocyanate

Downstream raw materials:

3-(4-chlorophenyl)-2-hydrazino-5,6,7,8-tetrahydrobenzo(b)thiophene[2,3-d]pyrimidine-4(3H)-one

3-(4-chlorophenyl)-2-butylthio-5,6,7,8-tetrahydrobenzothieno[2,3-d]-pyrimidin-4(3H)-one

3-(4-chlorophenyl)-2-ethylthio-5,6,7,8-tetrahydrobenzothieno[2,3-d]-pyrimidin-4(3H)-one

3-(4-chlorophenyl)-2-(phenylmethyl)thio-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one

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