2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, propyl ester

Base Information

• Chemical Name: 2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, propyl ester
• CAS No.: 110081-48-6
• Molecular Formula: C11H14 N4 O6
• Molecular Weight: 298.2521
• DSSTox Substance ID: DTXSID90149139
• Mol file: 110081-48-6.mol

Synonyms:BRN 0334150;2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, propyl ester;Hydantoic acid, 3-(5-nitrofurfurylideneamino)-, propyl ester;4-17-00-04473 (Beilstein Handbook Reference);Ester n-propylowy kwas N-(5-nitro-2-furfurylideno)-2-semikarbazydooctowy [Polish];110081-48-6;Ester n-propylowy kwas N-(5-nitro-2-furfurylideno)-2-semikarbazydooctowy;DTXSID90149139;LS-144910

Chemical Property of 2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, propyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 454.6°Cat760mmHg
• Flash Point: 228.8°C
• Density: 1.45g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 298.09133418
• Heavy Atom Count: 21
• Complexity: 421

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)CN(C(=O)N)N=CC1=CC=C(O1)[N+](=O)[O-]
• Isomeric SMILES: CCCOC(=O)CN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]

Technology Process of 2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, propyl ester

There total 3 articles about 2-Semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, propyl ester 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:

hydrazino-acetic acid propylester; hydrochloride (116727-22-1) → 3-(5-nitro-furfurylidenamino)-hydantoic acid propyl ester (110081-48-6)

Guidance literature:

With potassium cyanate; sulfuric acid; water;

Reference yield:

5-nitrofurane-2-carboxaldehyde (698-63-5) → 3-(5-nitro-furfurylidenamino)-hydantoic acid propyl ester (110081-48-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium cyanate; water; aqueous sulfuric acid

2: sulfuric acid

With potassium cyanate; sulfuric acid; water;

Reference yield:

propan-1-ol (71-23-8) + 3-(5-nitrofurfurylideneamino)hydantoic acid (63981-22-6) → 3-(5-nitro-furfurylidenamino)-hydantoic acid propyl ester (110081-48-6)

Guidance literature:

With sulfuric acid;

upstream raw materials:

propan-1-ol

3-(5-nitrofurfurylideneamino)hydantoic acid

hydrazino-acetic acid propylester; hydrochloride

5-nitrofurane-2-carboxaldehyde