1-Naphthalen-1-ylimidazolidine-2-thione

Base Information

• Chemical Name: 1-Naphthalen-1-ylimidazolidine-2-thione
• CAS No.: 30488-00-7
• Molecular Formula: C₁₃H₁₂N₂S
• Molecular Weight: 228.318
• NSC Number: 135972
• DSSTox Substance ID: DTXSID60400845
• Mol file: 30488-00-7.mol

Synonyms:30488-00-7;1-naphthalen-1-ylimidazolidine-2-thione;NSC135972;DTXSID60400845;NSC-135972

Chemical Property of 1-Naphthalen-1-ylimidazolidine-2-thione

Chemical Property:

• Vapor Pressure: 6.25E-06mmHg at 25°C
• Boiling Point: 378.5°C at 760 mmHg
• Flash Point: 182.7°C
• Density: 1.31g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.07211956
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=S)N1)C2=CC=CC3=CC=CC=C32

Technology Process of 1-Naphthalen-1-ylimidazolidine-2-thione

There total 4 articles about 1-Naphthalen-1-ylimidazolidine-2-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: 64.0%

ethanolamine (141-43-5) + 1-isothiocyanatonaphthalene (551-06-4) → 3-(1-naphthyl)imidazolidine-2-thione (30488-00-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 3h; Heating;

DOI:10.1271/bbb.62.1179

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + N-(1-naphthyl)ethylenediamine (551-09-7) → 3-(1-naphthyl)imidazolidine-2-thione (30488-00-7)

Guidance literature:

With triethylamine; fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate; Yield given. Multistep reaction; 1.) DMF, 0 deg C, 2.) room temperature, 15 min;

DOI:10.1080/00397919808005964

Reference yield:

→ 1-(1-Naphthyl)-2-imidazolin-2-thiol (30488-00-7)

Guidance literature:

Dihydrochlorid von Naphthalinderivat (1), NaOH, CS2;

DOI:10.1002/ardp.19783110314

upstream raw materials:

carbon disulfide

N-(1-naphthyl)ethylenediamine

ethanolamine

1-isothiocyanatonaphthalene