1-(Furan-2-carbonyl)-3-(3-nitro-phenyl)-thiourea

Base Information

• Chemical Name: 1-(Furan-2-carbonyl)-3-(3-nitro-phenyl)-thiourea
• CAS No.: 82366-77-6
• Molecular Formula: C₁₂H₉N₃O₄S
• Molecular Weight: 291.287
• DSSTox Substance ID: DTXSID80357024
• Wikidata: Q82136708
• ChEMBL ID: CHEMBL1418886
• Mol file: 82366-77-6.mol

Synonyms:1-(Furan-2-carbonyl)-3-(3-nitro-phenyl)-thiourea;MLS000566533;82366-77-6;N-[(3-nitrophenyl)carbamothioyl]furan-2-carboxamide;CHEMBL1418886;DTXSID80357024;HMS2513I16;HMS3375L03;STK864267;AKOS000584285;SMR000174259;SR-01000359018;SR-01000359018-1;N-(2-FURYLCARBONYL)-N'-(3-NITROPHENYL)THIOUREA

Chemical Property of 1-(Furan-2-carbonyl)-3-(3-nitro-phenyl)-thiourea

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 291.03137695
• Heavy Atom Count: 20
• Complexity: 399

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CO2

Technology Process of 1-(Furan-2-carbonyl)-3-(3-nitro-phenyl)-thiourea

There total 4 articles about 1-(Furan-2-carbonyl)-3-(3-nitro-phenyl)-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: 97.0%

2-furancarbonyl chloride (527-69-5) + ammonium thiocyanate (1147550-11-5) + 3-nitro-aniline (99-09-2) → 1-furoyl-3-(m-nitrophenyl)thiourea (82366-77-6)

Guidance literature:

2-furancarbonyl chloride; ammonium thiocyanate; In acetone; at 30 ℃; for 0.166667h;

3-nitro-aniline; In acetone; for 0.166667h; Further stages.; Heating;

DOI:10.1039/b102029n

Reference yield: 93.0%

2-furoylisothiocyanate (26172-44-1) + 3-nitro-aniline (99-09-2) → 1-furoyl-3-(m-nitrophenyl)thiourea (82366-77-6)

Guidance literature:

Reference yield:

2-furancarbonyl chloride (527-69-5) → 1-furoyl-3-(m-nitrophenyl)thiourea (82366-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: PEG-400 / CH₂Cl₂ / 1 h / Ambient temperature

2: 0.5 h / Ambient temperature

With PEG-400; In dichloromethane;

upstream raw materials:

2-furoylisothiocyanate

3-nitro-aniline

2-furancarbonyl chloride

ammonium thiocyanate