N-Naphthalen-1-yl-N'-(4-nitrophenyl)thiourea

Base Information

• Chemical Name: N-Naphthalen-1-yl-N'-(4-nitrophenyl)thiourea
• CAS No.: 111782-25-3
• Molecular Formula: C17H13N3O2S
• Molecular Weight: 323.375
• DSSTox Substance ID: DTXSID30606913
• Wikidata: Q82505827
• Mol file: 111782-25-3.mol

Synonyms:111782-25-3;N-Naphthalen-1-yl-N'-(4-nitrophenyl)thiourea;DTXSID30606913;AKOS003707111

Chemical Property of N-Naphthalen-1-yl-N'-(4-nitrophenyl)thiourea

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 323.07284784
• Heavy Atom Count: 23
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of N-Naphthalen-1-yl-N'-(4-nitrophenyl)thiourea

There total 3 articles about N-Naphthalen-1-yl-N'-(4-nitrophenyl)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: 87.0%

(RS)-1-(1-naphthyl)ethylamine (42882-31-5) + p-nitrophenyl isothiocyanate (2131-61-5) → 1-(1-naphthalen-1-yl)-3-(4-nitrophenyl)thiourea (111782-25-3)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 24h;

DOI:10.1016/j.bmcl.2015.01.042

Reference yield:

1-naphthylamine hydrochloride (552-46-5) + p-nitrophenyl isothiocyanate (2131-61-5) → 1-(1-naphthalen-1-yl)-3-(4-nitrophenyl)thiourea (111782-25-3)

Guidance literature:

In ethanol;

DOI:10.1016/j.saa.2008.02.024

Reference yield:

1-amino-naphthalene (134-32-7) + p-nitrophenyl isothiocyanate (2131-61-5) → 1-(1-naphthalen-1-yl)-3-(4-nitrophenyl)thiourea (111782-25-3)

Guidance literature:

DOI:10.1039/jr9340000174

upstream raw materials:

1-amino-naphthalene

p-nitrophenyl isothiocyanate

1-naphthylamine hydrochloride

(RS)-1-(1-naphthyl)ethylamine