2-[5-(2-Aminoethylamino)-2-nitroanilino]ethanol

Base Information

• Chemical Name: 2-[5-(2-Aminoethylamino)-2-nitroanilino]ethanol
• CAS No.: 5750-80-1
• Molecular Formula: C10H7 Br N2 O3
• Molecular Weight: 240.259
• DSSTox Substance ID: DTXSID20386590
• Wikidata: Q82180135
• Mol file: 5750-80-1.mol

Synonyms:5750-80-1;CBKinase1_000892;CBKinase1_013292;Cambridge id 5750801;2-[5-(2-aminoethylamino)-2-nitroanilino]ethanol;DTXSID20386590;STK085650;AKOS000288818;AB00095744-01;BRD-K04203650-001-01-2;2-({5-[(2-aminoethyl)amino]-2-nitrophenyl}amino)ethanol

Chemical Property of 2-[5-(2-Aminoethylamino)-2-nitroanilino]ethanol

Chemical Property:

• Vapor Pressure: 8.35E-12mmHg at 25°C
• Boiling Point: 523.9°C at 760 mmHg
• Flash Point: 270.7°C
• Density: 1.377g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 240.12224039
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NCCN)NCCO)[N+](=O)[O-]

Technology Process of 2-[5-(2-Aminoethylamino)-2-nitroanilino]ethanol

There total 3 articles about 2-[5-(2-Aminoethylamino)-2-nitroanilino]ethanol 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: 90.4%

5-phenyl-2,4,6-pyrimidinetrione (22275-34-9) → 5-Phenyl-5-brombarbitursaeure (5750-80-1)

Guidance literature:

With hydrogen bromide; at 10 - 12 ℃; for 1h;

Reference yield:

diethyl 2-phenylmalonate (83-13-6) → 5-Phenyl-5-brombarbitursaeure (5750-80-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 40.3 percent

2: 90.4 percent / aq. HBr / 1 h / 10 - 12 °C

With hydrogen bromide;

Reference yield:

→ 5-Phenyl-5-brombarbitursaeure (5750-80-1)

Guidance literature:

Dibutyl-phenylmalonat, Harnstoff, Br2;

upstream raw materials:

5-phenyl-2,4,6-pyrimidinetrione

diethyl 2-phenylmalonate