N-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea

Base Information

• Chemical Name: N-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
• CAS No.: 121746-08-5
• Molecular Formula: C17H15N3OS2
• Molecular Weight: 341.458
• Mol file: 121746-08-5.mol

Synonyms:1-Benzoyl-3-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-thiourea;N-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)benzamide;2-(3-Benzoyl-thioureido)-5,6,7,8-tetrahydro-benzo[b]thiophen-3-carbonitril;N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamothioyl)benzamide;N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-N'-benzoylthiourea;N-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzo-2-thienyl)thiourea;

Chemical Property of N-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea

Chemical Property:

• PSA: 125.25000
• LogP: 4.08928

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea

There total 3 articles about N-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea 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: 95.0%

3-cyano-2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene (4651-91-6) + Benzoyl isothiocyanate (532-55-8) → 2-(3-Benzoyl-thioureido)-5,6,7,8-tetrahydro-benzothiophen-3-carbonitril (121746-08-5)

Guidance literature:

In acetone; 1.) reflux, 2.) r.t.;

DOI:10.1002/ardp.19893220407

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-(3-Benzoyl-thioureido)-5,6,7,8-tetrahydro-benzothiophen-3-carbonitril (121746-08-5)

Guidance literature:

Multi-step reaction with 2 steps

1: morpholine; sulfur / ethanol

2: 1,4-dioxane

With morpholine; sulfur; In 1,4-dioxane; ethanol; 1: |Gewald Aminoheterocycles Synthesis;

DOI:10.1021/acschembio.0c00184

Reference yield:

benzoyl chloride (98-88-4) → 2-(3-Benzoyl-thioureido)-5,6,7,8-tetrahydro-benzothiophen-3-carbonitril (121746-08-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,4-dioxane / 0.17 h / Heating

2: 2 h / Reflux

In 1,4-dioxane;

DOI:10.1007/s00044-015-1433-6

upstream raw materials:

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

Benzoyl isothiocyanate

benzoyl chloride

cyclohexanone

Downstream raw materials:

2-(methylsulfanyl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4-amine

N-[3-(3-cyano-4,5,6,7-tetrahydro-1-benzo-2-thienyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

[(4-amino-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-2-yl)sulfanyl](phenyl)acetic acid

QB₁₃