2-[3-(4-Nitrophenyl)propylamino]ethanol

Base Information

• Chemical Name: 2-[3-(4-Nitrophenyl)propylamino]ethanol
• CAS No.: 130634-09-2
• Molecular Formula: C11H16N2O3
• Molecular Weight: 224.26
• Hs Code.: 29214990
• DSSTox Substance ID: DTXSID10439625
• Wikidata: Q72484172
• Mol file: 130634-09-2.mol

Synonyms:130634-09-2;2-[3-(4-nitrophenyl)propylamino]ethanol;N-(2-Hydroxyethyl)-3-(4-nitrophenyl)propylamine;2-((3-(4-Nitrophenyl)propyl)amino)ethanol;2-(3-(4-nitrophenyl)propylamino)ethanol;2-{[3-(4-nitrophenyl)propyl]amino}ethan-1-ol;Ethanol, 2-[[3-(4-nitrophenyl)propyl]amino]-;N-(2-Hydroxyethyl pound(c)-3- pound 4-nitrophenyl) propylamine C11H16N2O3;n-(2-hydroxyethyl)-n-[3-(4-nitrophenyl)propyl]amine;SCHEMBL9060802;DTXSID10439625;RGJQCMUPYAXGNG-UHFFFAOYSA-N;BCP10758;AKOS015889000;2-{[3-(4-Nitrophenyl)propyl]amino};AC-4713;AS-66465;FT-0643135;F87053;A852497;J-522930

Chemical Property of 2-[3-(4-Nitrophenyl)propylamino]ethanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 397.942 °C at 760 mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 194.469 °C
• PSA: 78.08000
• Density: 1.181 g/cm³
• LogP: 2.02340
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

2-((3-(4-Nitrophenyl)propyl)amino)ethanol 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCNCCO)[N+](=O)[O-]

Technology Process of 2-[3-(4-Nitrophenyl)propylamino]ethanol

There total 5 articles about 2-[3-(4-Nitrophenyl)propylamino]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: 94.0%

2-[3-(4-nitrophenyl)propionylamino]ethanol → N-(2-hydroxyethyl)-N-[3-(4-nitrophenyl)propyl]amine (130634-09-2)

Guidance literature:

With aluminum(III) borohydride; trifluoroacetic acid; at 65 ℃; for 1.5h;

Reference yield: 85.0%

ethanolamine (141-43-5) + (3-(4-nitrophenyl)propyl)-4-methylbenzene-1-sulfonate (130636-37-2) → N-(2-hydroxyethyl)-N-[3-(4-nitrophenyl)propyl]amine (130634-09-2)

Guidance literature:

In 1,4-dioxane; at 90 - 100 ℃; for 3h;

DOI:10.1021/jm00096a003

Reference yield: 71.6%

1-bromo-3-(4-nitrophenyl)propane (53712-77-9) + ethanolamine (141-43-5) → N-(2-hydroxyethyl)-N-[3-(4-nitrophenyl)propyl]amine (130634-09-2)

Guidance literature:

With triethylamine; In acetonitrile; at 0 - 20 ℃; for 24h;

DOI:10.1021/acs.inorgchem.6b00395

upstream raw materials:

ethanolamine

(3-(4-nitrophenyl)propyl)-4-methylbenzene-1-sulfonate

3-(4-nitrophenyl)-1-propanol

1-bromo-3-(4-nitrophenyl)propane

Downstream raw materials:

1,3-dimethyl-6-[2-(N-[2-hydroxyethyl]-3-[4-nitrophenyl]propylamino)ethylamino]-2,4(1H,3H)-pyrimidinedione

Refernces

• 1、 Wang, Sheng,Gai, Yongkang,Zhang, Shasha,Ke, Lei,Ma, Xiang,Xiang, Guangya. "Synthesis and evaluation of a class of 1,4,7-triazacyclononane derivatives as iron depletion antitumor agents". supporting information. p. 117 - 121. Retrieved 2017/12/15.
• 2、 -. "Pyrimidinedione derivatives and antiarrhythmic agents containing same". . . Retrieved 2008/06/13.