Acetamide, N-[4-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenyl]-

Base Information

• Chemical Name: Acetamide, N-[4-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenyl]-
• CAS No.: 91941-10-5
• Molecular Formula: C14H15N5O3
• Molecular Weight: 301.305
• DSSTox Substance ID: DTXSID90439749
• Wikidata: Q82255809
• Mol file: 91941-10-5.mol

Synonyms:Acetamide, N-[4-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenyl]-;91941-10-5;DTXSID90439749

Chemical Property of Acetamide, N-[4-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenyl]-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 301.11748936
• Heavy Atom Count: 22
• Complexity: 392

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)CNC2=NC(=C(C=C2)[N+](=O)[O-])N

Technology Process of Acetamide, N-[4-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenyl]-

There total 2 articles about Acetamide, N-[4-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenyl]- 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:

2,6-dicholoro-3-nitropyridine (16013-85-7,136901-10-5) → N-{4-[(6-Amino-5-nitro-pyridin-2-ylamino)-methyl]-phenyl}-acetamide (91941-10-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia

2: triethylamine / dioxane

With ammonia; triethylamine; In 1,4-dioxane;

DOI:10.1021/jm00045a005

Reference yield:

4-(acetamido)benzylamine (25412-53-7) + 2-amino-6-chloro-3-nitropyridine (27048-04-0) → N-{4-[(6-Amino-5-nitro-pyridin-2-ylamino)-methyl]-phenyl}-acetamide (91941-10-5)

Guidance literature:

With triethylamine; In 1,4-dioxane;

DOI:10.1021/jm00045a005

Reference yield:

N-{4-[(6-Amino-5-nitro-pyridin-2-ylamino)-methyl]-phenyl}-acetamide (91941-10-5) → N-{4-[(5,6-Diamino-pyridin-2-ylamino)-methyl]-phenyl}-acetamide (1026258-40-1)

Guidance literature:

With hydrogen; nickel; In 1,4-dioxane; at 50 ℃; under 3750.3 Torr;

DOI:10.1021/jm00045a005

upstream raw materials:

4-(acetamido)benzylamine

2-amino-6-chloro-3-nitropyridine

2,6-dicholoro-3-nitropyridine

Downstream raw materials:

N-{4-[(5,6-Diamino-pyridin-2-ylamino)-methyl]-phenyl}-acetamide