4-(3-Aminopropyl)-4-nitroheptane-1,7-diamine

Base Information

• Chemical Name: 4-(3-Aminopropyl)-4-nitroheptane-1,7-diamine
• CAS No.: 155021-55-9
• Molecular Formula: C10H24 N4 O2
• Molecular Weight: 232.32
• Hs Code.: 2921290000
• DSSTox Substance ID: DTXSID60596131
• Wikidata: Q82491282
• Mol file: 155021-55-9.mol

Synonyms:4-(3-aminopropyl)-4-nitroheptane-1,7-diamine;155021-55-9;Tris(3-aminopropyl)nitromethane;SCHEMBL2101822;DTXSID60596131;AKOS015904571;DB-299338;4-(3-azanylpropyl)-4-nitro-heptane-1,7-diamine;A809597

Chemical Property of 4-(3-Aminopropyl)-4-nitroheptane-1,7-diamine

Chemical Property:

• Boiling Point: 408.6±45.0 °C(Predicted)
• PKA: 10.33±0.10(Predicted)
• PSA: 123.88000
• Density: 1.068±0.06 g/cm3(Predicted)
• LogP: 2.84270
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 232.18992602
• Heavy Atom Count: 16
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

TRIS(3-AMINOPROPYL)NITROMETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(CCCN)(CCCN)[N+](=O)[O-])CN

Technology Process of 4-(3-Aminopropyl)-4-nitroheptane-1,7-diamine

There total 1 articles about 4-(3-Aminopropyl)-4-nitroheptane-1,7-diamine 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:

tris(2-cyanoethyl)nitromethane (1466-48-4) → 4-(3-aminopropyl)-4-nitroheptane-1,7-diamine (155021-55-9)

Guidance literature:

With borane-THF; In 1,4-dioxane; for 2h; Heating;

DOI:10.1016/S0040-4039(02)00294-0

Reference yield: 82.0%

2,3-dimethoxybenzoic acid (1521-38-6) + 4-(3-aminopropyl)-4-nitroheptane-1,7-diamine (155021-55-9) → tris[3-(2,3-dimethoxybenzamido)propyl]nitromethane

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In methanol;

DOI:10.1039/c3dt51448j

Reference yield: 77.0%

2-[(succinimidyloxy)carbonyl]-3,4-dibenzoyloxypyridine + 4-(3-aminopropyl)-4-nitroheptane-1,7-diamine (155021-55-9) → C70H69N7O11

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1016/j.bmcl.2005.08.008

upstream raw materials:

tris(2-cyanoethyl)nitromethane

Downstream raw materials:

4-nitro-1,7-bis{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-4-{3-N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}propylheptane

4-amino-1,7-bis{N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-4-{3-N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}propylheptane