Benzamide, N-(((2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)thioxomethyl)-, (E)-

Base Information

• Chemical Name: Benzamide, N-(((2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)thioxomethyl)-, (E)-
• CAS No.: 141034-12-0
• Molecular Formula: C₁₇H₁₆N₂O₂S
• Molecular Weight: 312.392
• DSSTox Substance ID: DTXSID00161529
• Wikidata: Q76278651
• Mol file: 141034-12-0.mol

Synonyms:BRN 5348645;trans-N-(2-Hydroxyindane-1-yl)-N'-benzoylthiourea;Benzamide, N-(((2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)thioxomethyl)-, (E)-;N-(((2-Hydroxy-2,3-dihydro-1H-inden-1-yl)amino)thioxomethyl)benzamide (E)-;141034-12-0;DTXSID00161529;LS-26917

Chemical Property of Benzamide, N-(((2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)thioxomethyl)-, (E)-

Chemical Property:

• Density: 1.36g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 312.09324893
• Heavy Atom Count: 22
• Complexity: 423

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C2=CC=CC=C21)NC(=S)NC(=O)C3=CC=CC=C3)O
• Isomeric SMILES: C1[C@H]([C@@H](C2=CC=CC=C21)NC(=S)NC(=O)C3=CC=CC=C3)O

Technology Process of Benzamide, N-(((2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)thioxomethyl)-, (E)-

There total 1 articles about Benzamide, N-(((2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)thioxomethyl)-, (E)- 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: 83.0%

trans-1-aminoindan-2-ol (7480-35-5,13286-59-4,74165-73-4,126456-43-7,136030-00-7,140632-19-5,140632-20-8) + Benzoyl isothiocyanate (532-55-8) → trans-N-(2-hydroxyindane-1-yl)-N'-benzoyl thiourea (141034-12-0)

Guidance literature:

In acetone; for 1h; Heating;

DOI:10.1135/cccc19920415

Reference yield: 76.0%

trans-N-(2-hydroxyindane-1-yl)-N'-benzoyl thiourea (141034-12-0) → trans-N-(2-hydroxyindane-1-yl) thiourea (141034-14-2)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

DOI:10.1135/cccc19920415

Reference yield:

trans-N-(2-hydroxyindane-1-yl)-N'-benzoyl thiourea (141034-12-0) → trans-2-iminothiazolidine (141034-16-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / aq. NaOH / 1 h / Heating

2: 56 percent / ethanol / 36 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1135/cccc19920415

upstream raw materials:

trans-1-aminoindan-2-ol

Benzoyl isothiocyanate

Downstream raw materials:

trans-N-(2-hydroxyindane-1-yl) thiourea

trans-2-iminothiazolidine

trans-2-imino-3-acetyl thiazolidine