N-(4-Azido-2-nitrophenyl)-1,2-diaminoethane

Base Information

• Chemical Name: N-(4-Azido-2-nitrophenyl)-1,2-diaminoethane
• CAS No.: 64309-07-5
• Molecular Formula: C8H10 N6 O2
• Molecular Weight: 0
• Hs Code.: 2929909090
• DSSTox Substance ID: DTXSID30214532
• Nikkaji Number: J996.999C
• Wikidata: Q83090394
• Mol file: 64309-07-5.mol

Synonyms:BAEANA;N-(4-azido-2-nitrophenyl)-1,2-diaminoethane;N-(4-azido-2-nitrophenyl)-1,2-diaminoethane, 3H-labeled;N-(beta-aminoethyl)-4-azido-2-nitroaniline

Chemical Property of N-(4-Azido-2-nitrophenyl)-1,2-diaminoethane

Chemical Property:

• PSA: 133.62000
• LogP: 2.65646
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 222.08652358
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCN

Technology Process of N-(4-Azido-2-nitrophenyl)-1,2-diaminoethane

There total 3 articles about N-(4-Azido-2-nitrophenyl)-1,2-diaminoethane 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: 89.0%

4-fluoro-3-nitrophenylazide (28166-06-5) + ethylenediamine (107-15-3,85404-18-8) → 4-(2-aminoethyl)amino-3-nitro-phenylazide (napa) (64309-07-5)

Guidance literature:

In dichloromethane; for 24h; Ambient temperature;

DOI:10.1248/cpb.38.982

Reference yield:

4-Fluoro-3-nitroaniline (364-76-1) → 4-(2-aminoethyl)amino-3-nitro-phenylazide (napa) (64309-07-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide; tert.-butylnitrite / tert-butyl alcohol; water / 3 h / 0 - 55 °C

2: triethylamine / methanol / 12 h / Reflux

With sodium azide; tert.-butylnitrite; triethylamine; In methanol; water; tert-butyl alcohol;

Reference yield:

→ 4-(2-aminoethyl)amino-3-nitro-phenylazide (napa) (64309-07-5)

Guidance literature:

1-F-2-NO2-4-Azidophenyl, NH2-CH2CH2-NH2;

upstream raw materials:

4-fluoro-3-nitrophenylazide

ethylenediamine

4-Fluoro-3-nitroaniline