5-Nitro-2-furanacrylaldehyde 1-semicarbazone

Base Information

• Chemical Name: 5-Nitro-2-furanacrylaldehyde 1-semicarbazone
• CAS No.: 721-71-1
• Molecular Formula: C₈H₈N₄O₄
• Molecular Weight: 224.176
• NSC Number: 53264
• ChEMBL ID: CHEMBL1632500
• Mol file: 721-71-1.mol

Synonyms:NF-242;NSC 53264;BRN 0021542;5-Nitro-2-furanacrylaldehyde 1-semicarbazone;2-FURANACRYLALDEHYDE, 5-NITRO-, 1-SEMICARBAZONE;4-17-00-04704 (Beilstein Handbook Reference);721-71-1;NSC53264;CHEMBL1632500;NSC-53264;LS-70049

Chemical Property of 5-Nitro-2-furanacrylaldehyde 1-semicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.51g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 224.05455475
• Heavy Atom Count: 16
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC(=O)N
• Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N/NC(=O)N

Technology Process of 5-Nitro-2-furanacrylaldehyde 1-semicarbazone

There total 2 articles about 5-Nitro-2-furanacrylaldehyde 1-semicarbazone 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:

5-nitrofurane-2-carboxaldehyde (698-63-5) → 3t-(5-nitro-[2]furyl)-acrylaldehyde semicarbazone (721-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine

With piperidine;

Reference yield:

hydrazine carboxamide (4426-72-6,51433-48-8,57-56-7) + 3-(5-nitrofuran-2-yl)-2-propenal (1874-22-2) → 3t-(5-nitro-[2]furyl)-acrylaldehyde semicarbazone (721-71-1)

Guidance literature:

Reference yield: 33.0%

[ReOCl3(PPh3)2] + 3-(5-nitrofuryl)acroleine semicarbazone (721-71-1) → ReOCl2(triphenylphosphine)(3-(5-nitro-2-furyl)acroleine semicarbazonate)

Guidance literature:

In methanol; excess of ligand, reflux for 20 h; solid was filtered off, recrystn. from Me2CO by slow evapn. at room temp., elem. anal.;

DOI:10.1002/zaac.200300012

upstream raw materials:

hydrazine carboxamide

3-(5-nitrofuran-2-yl)-2-propenal

5-nitrofurane-2-carboxaldehyde