N-((1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-phenylthiourea

Base Information

• Chemical Name: N-((1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-phenylthiourea
• CAS No.: 99700-07-9
• Molecular Formula: C₁₇H₂₂N₄S
• Molecular Weight: 314.454
• DSSTox Substance ID: DTXSID10912529
• Mol file: 99700-07-9.mol

Synonyms:N-((1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-phenylthiourea;Thiourea, N-((1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-phenyl-;99700-07-9;C17H22N4S;DTXSID10912529;C17-H22-N4-S;LS-153533;N'-[(1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl]-N-phenylcarbamimidothioic acid

Chemical Property of N-((1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-phenylthiourea

Chemical Property:

• Vapor Pressure: 1.07E-10mmHg at 25°C
• Boiling Point: 514.5°Cat760mmHg
• Flash Point: 265°C
• Density: 1.24g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 314.15651789
• Heavy Atom Count: 22
• Complexity: 370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=NC2=C1CCC(C2)CNC(=S)NC3=CC=CC=C3

Technology Process of N-((1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-phenylthiourea

There total 5 articles about N-((1-Ethyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)methyl)-N'-phenylthiourea 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:

1-ethyl-5-cyano-4,5,6,7-tetrahydrobenzimidazole (96233-56-6) → 1-(1-Ethyl-4,5,6,7-tetrahydro-1H-benzoimidazol-5-ylmethyl)-3-phenyl-thiourea (99700-07-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.3 g / lithium aluminium hydride, aluminium chloride / diethyl ether; tetrahydrofuran / 4 h / Ambient temperature

2: acetonitrile / Ambient temperature

With lithium aluminium tetrahydride; aluminium trichloride; In tetrahydrofuran; diethyl ether; acetonitrile;

Reference yield:

1-ethyl-5-oxo-4,5,6,7-tetrahydrobenzimidazole (99700-15-9) → 1-(1-Ethyl-4,5,6,7-tetrahydro-1H-benzoimidazol-5-ylmethyl)-3-phenyl-thiourea (99700-07-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 10.45 g / methanol / 3 h / Ambient temperature

2: 2.8 g / methanol / 36 h / Heating

3: 2.3 g / lithium aluminium hydride, aluminium chloride / diethyl ether; tetrahydrofuran / 4 h / Ambient temperature

4: acetonitrile / Ambient temperature

With lithium aluminium tetrahydride; aluminium trichloride; In tetrahydrofuran; methanol; diethyl ether; acetonitrile;

Reference yield:

1-ethyl-5-methoxy-4,7-dihydrobenzimidazole (96224-02-1) → 1-(1-Ethyl-4,5,6,7-tetrahydro-1H-benzoimidazol-5-ylmethyl)-3-phenyl-thiourea (99700-07-9)

Guidance literature:

Multi-step reaction with 5 steps

1: 100 percent / 1N hydrochloric acid / aq. ethanol; H₂O / ice-water bath; RT, 2 h

2: 10.45 g / methanol / 3 h / Ambient temperature

3: 2.8 g / methanol / 36 h / Heating

4: 2.3 g / lithium aluminium hydride, aluminium chloride / diethyl ether; tetrahydrofuran / 4 h / Ambient temperature

5: acetonitrile / Ambient temperature

With hydrogenchloride; lithium aluminium tetrahydride; aluminium trichloride; In tetrahydrofuran; methanol; diethyl ether; ethanol; water; acetonitrile;

upstream raw materials:

phenyl isothiocyanate

1-ethyl-5-aminomethyl-4,5,6,7-tetrahydrobenzimidazole

1-ethyl-5-cyano-4,5,6,7-tetrahydrobenzimidazole

1-ethyl-5-oxo-4,5,6,7-tetrahydrobenzimidazole