4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide

Base Information

• Chemical Name: 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide
• CAS No.: 125901-98-6
• Molecular Formula: C₁₉H₂₂N₆O₆
• Molecular Weight: 430.42
• Mol file: 125901-98-6.mol

Synonyms:4,4'-(1,5-Pentanediylbis(oxy))bis(3-nitrobenzenecarboximidamide);1,5-Di(4-amidino-2-nitrophenoxy)pentane;3,3'-Dinitro-4,4'-pentandiyldioxy-bis-benzamidin;1.5-Bis-(2-nitro-4-carbamimidoyl-phenoxy)-pentan;Benzenecarboximidamide,4,4'-[1,5-pentanediylbis(oxy)]bis[3-nitro;1,5-bis(3-nitrobenzamidine-4-oxy)pentane;3,3'-dinitro-4,4'-pentanediyldioxy-bis-benzamidine;

Chemical Property of 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide

Chemical Property:

• Vapor Pressure: 1.49E-17mmHg at 25°C
• Boiling Point: 665°C at 760 mmHg
• Flash Point: 356°C
• PSA: 209.84000
• Density: 1.47g/cm³
• LogP: 5.34570

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide

There total 2 articles about 4-[5-(4-carbamimidoyl-2-nitro-phenoxy)pentoxy]-3-nitro-benzenecarboxim idamide 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:

1,5-dibromo-pentane (111-24-0) → 1,5-bis(3-nitrobenzamidine-4-oxy)pentane (125901-98-6)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol. NaOEt / 48 h / Heating

2: HNO₃, trifluoroacetic acid / acetic anhydride / 24 h / 45 °C

3: HCl (gas) / CHCl₃ / 24 h / Ambient temperature

4: ethanol. NH₃ / 40 - 60 °C

With hydrogenchloride; ammonia; nitric acid; sodium ethanolate; trifluoroacetic acid; In chloroform; acetic anhydride;

DOI:10.1021/jm00166a026

Reference yield:

4,4′-(pentane-1,5-diylbis(oxy))dibenzonitrile (7467-71-2) → 1,5-bis(3-nitrobenzamidine-4-oxy)pentane (125901-98-6)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃, trifluoroacetic acid / acetic anhydride / 24 h / 45 °C

2: HCl (gas) / CHCl₃ / 24 h / Ambient temperature

3: ethanol. NH₃ / 40 - 60 °C

With hydrogenchloride; ammonia; nitric acid; trifluoroacetic acid; In chloroform; acetic anhydride;

DOI:10.1021/jm00166a026

upstream raw materials:

1,5-dibromo-pentane

4,4′-(pentane-1,5-diylbis(oxy))dibenzonitrile

Refernces