2-(Isopropylamino)ethanol

Base Information

• Chemical Name: 2-(Isopropylamino)ethanol
• CAS No.: 109-56-8
• Molecular Formula: C5H13 N O
• Molecular Weight: 103.164
• Hs Code.: 2922199090
• European Community (EC) Number: 203-681-4
• NSC Number: 128124,1090
• UN Number: 1987
• UNII: Y8L7KC6HUB
• DSSTox Substance ID: DTXSID5059373
• Nikkaji Number: J78.152E
• Wikidata: Q69755184
• Mol file: 109-56-8.mol

Synonyms:2-isopropylaminoethanol;2-isopropylaminoethanol hydrochloride;N-isopropylethanolamine

Chemical Property of 2-(Isopropylamino)ethanol

Chemical Property:

• Vapor Pressure: 3.762mmHg at 25°C
• Melting Point: 15.85°C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 170.4°Cat760mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 70.3°C
• PSA: 32.26000
• Density: 0.875g/cm³
• LogP: 0.36760
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Soluble in water
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 37.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

97% ^*data from raw suppliers

2-?(Isopropylamino)?ethanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 21/22-36/37/38-41-52/53-37/38
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)NCCO
• Uses: 2-(Isopropylamino)ethanol may be used in the synthesis of heterocyclic N,O-acetals. Synthesis of emulsifiers.

Technology Process of 2-(Isopropylamino)ethanol

There total 11 articles about 2-(Isopropylamino)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: 96.0%

ethanolamine (141-43-5) + acetone (67-64-1) → i-propyl(2-(hydroxy)ethyl)amine (109-56-8)

Guidance literature:

With 1 wt% palladium-alumina; hydrogen; at 128 - 132 ℃; Concentration; Reagent/catalyst;

Reference yield: 55.0%

oxirane (75-21-8,99932-75-9) + isopropylamine (75-31-0) → i-propyl(2-(hydroxy)ethyl)amine (109-56-8)

Guidance literature:

In ethanol; water; at 30 - 40 ℃;

Reference yield: 36.0%

2,2-pentamethylene-3-isopropyloxazolidine (91322-92-8) → i-propyl(2-(hydroxy)ethyl)amine (109-56-8) + 1-isopropyl-2,3-tetramethylenepyrrole (91322-88-2) + cyclohexanol (108-93-0)

Guidance literature:

With potassium hydroxide; Heating; CH₃ONa as reagent;

DOI:10.1007/BF00542786

upstream raw materials:

oxirane

isopropylamine

ethanolamine

acetone

Downstream raw materials:

N-methyl-N-isopropylaminoethyl alcohol

2-{[2-(2-benzyl-phenoxy)-ethyl]-isopropyl-amino}-ethanol

2-({2-[2-(4-fluoro-benzyl)-phenoxy]-ethyl}-isopropyl-amino)-ethanol

N-(2-chloroethyl)-N-isopropylamine hydrochloride

Refernces

In Vitro Evaluation of Phosphocholine and Quaternary Ammonium Containing Lipids as Novel Anti-HIV Agents

10.1021/jm00108a021

The research evaluates a series of synthetic lipids containing a two- or three-carbon backbone substituted with a thio, oxy, or amidoalkyl functionality and either a phosphocholine or quaternary ammonium moiety as potential anti-HIV-1 agents. The most promising compound identified is rac-3-octadecanamido-2-etholrypropylphosphocholine (8), which exhibited an ICso for the inhibition of plaque formation of 0.16 pM, significantly lower than the ICw value determined for CEM-SS cell growth inhibition. Unlike AZT, these compounds appear to inhibit a late step in HIV replication involving virus assembly and infectious virus production. Key chemicals involved in the research include AZT as a reference compound, various phospholipid analogues such as ET-18-OMe, ET-18-OEt, and compound 8, as well as nonphosphorus-containing analogues like compounds 20, 22, and 27. The study also involved the synthesis of several compounds, including 2, 3, 17, 24, 26, and 37, using starting materials like 1,2-dimethylethylene phosphorochloridate (CEP-Cl), 2-(isopropylamino)ethanol, 2-(tert-butylamino)ethanol, and other reagents such as p-toluenesulfonyl chloride and dicyclohexylcarbodiimide (DCC).