4-Nffmt

Base Information

• Chemical Name: 4-Nffmt
• CAS No.: 146173-56-0
• Molecular Formula: C11H7 N5 O4 S
• Molecular Weight: 305.27
• Mol file: 146173-56-0.mol

Synonyms:4-(5-nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole;4-NFFMT

Chemical Property of 4-Nffmt

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 439.8°Cat760mmHg
• Flash Point: 219.8°C
• PSA: 153.97000
• Density: 1.73g/cm³
• LogP: 2.73340
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 305.02187490
• Heavy Atom Count: 21
• Complexity: 505

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)[N+](=O)[O-]
• Isomeric SMILES: C1=COC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(O3)[N+](=O)[O-]

Technology Process of 4-Nffmt

There total 3 articles about 4-Nffmt 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: 98.3%

5-nitro-2-furfuraldehyde diacetate (92-55-7) + 4-amino-3-(2-furyl)-5-mercapto[4H]-1,2,4-triazole (80809-38-7) → 4-[imino-(5-nitro-2-thienyl)]-3-mercapto-5-(2-furoyl)-4H-1,2,4-triazole (146173-56-0)

Guidance literature:

With sulfuric acid; In ethanol; water; for 3h; Heating;

DOI:10.3390/12082003

Reference yield:

2-furoic acid hydrazide (3326-71-4) → 4-[imino-(5-nitro-2-thienyl)]-3-mercapto-5-(2-furoyl)-4H-1,2,4-triazole (146173-56-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide / ethanol

1.2: hydrazine hydrate

2.1: 98.3 percent / sulfuric acid / ethanol; H₂O / 3 h / Heating

With potassium hydroxide; sulfuric acid; In ethanol; water;

DOI:10.3390/12082003

Reference yield:

→ 4-[imino-(5-nitro-2-thienyl)]-3-mercapto-5-(2-furoyl)-4H-1,2,4-triazole (146173-56-0)

Guidance literature:

Reflux;

upstream raw materials:

5-nitro-2-furfuraldehyde diacetate

4-amino-3-(2-furyl)-5-mercapto[4H]-1,2,4-triazole

2-furoic acid hydrazide

Refernces

• 1、 -. "FURYL AND THIENYL TRIAZOLE DERIVATIVES AND THERAPEUTIC USES THEREOF". Paragraph 0035. . Retrieved 2014/09/03.