4-(3-Nitrophenyl)-1,2,3-selenadiazole

Base Information

• Chemical Name: 4-(3-Nitrophenyl)-1,2,3-selenadiazole
• CAS No.: 52376-72-4
• Molecular Formula: C8H5N3O2Se
• Molecular Weight: 254.107
• DSSTox Substance ID: DTXSID80535820
• Nikkaji Number: J3.165.224C
• Wikidata: Q82410242
• Mol file: 52376-72-4.mol

Synonyms:4-(3-Nitrophenyl)-1,2,3-selenadiazole;52376-72-4;DTXSID80535820;4-(3-nitrophenyl)-1,2,3-selena-diazole

Chemical Property of 4-(3-Nitrophenyl)-1,2,3-selenadiazole

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.95470
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=C[Se]N=N2

Technology Process of 4-(3-Nitrophenyl)-1,2,3-selenadiazole

There total 2 articles about 4-(3-Nitrophenyl)-1,2,3-selenadiazole 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-(3-nitro-phenyl)-ethanone semicarbazone (22107-29-5) → 4-(3-nitrophenyl)-1,2,3-selenadiazole (52376-72-4)

Guidance literature:

With selenium(IV) oxide; acetic acid;

DOI:10.1039/P19740000030

Reference yield:

3-Nitroacetophenone (121-89-1) → 4-(3-nitrophenyl)-1,2,3-selenadiazole (52376-72-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate

2: selenium(IV) oxide; acetic acid

With selenium(IV) oxide; sodium acetate; acetic acid;

DOI:10.1002/jhet.2216

Reference yield:

4-(3-nitrophenyl)-1,2,3-selenadiazole (52376-72-4) → (3-Nitro-phenylethynylselanyl)-acetic acid (94789-14-7)

Guidance literature:

Multi-step reaction with 2 steps

1: t-C₄H₉OK / 1.) THF, 2.) reflux, 1 h

2: KOH / ethanol / 0.5 h / Heating

With potassium hydroxide; potassium tert-butylate; In ethanol;

DOI:10.1055/s-1984-30923

upstream raw materials:

1-(3-nitro-phenyl)-ethanone semicarbazone

3-Nitroacetophenone

Downstream raw materials:

(3-Nitro-phenylethynylselanyl)-acetic acid

2-(3-Nitro-phenylethynylselanyl)-propionic acid