2-Butylaminoethanol

Base Information

• Chemical Name: 2-Butylaminoethanol
• CAS No.: 111-75-1
• Molecular Formula: C6H15NO
• Molecular Weight: 117.191
• Hs Code.: 29221990
• European Community (EC) Number: 203-904-5
• NSC Number: 1098
• UNII: 3IBO99KPV6
• DSSTox Substance ID: DTXSID9059410
• Nikkaji Number: J78.142H
• Wikidata: Q27257261
• Mol file: 111-75-1.mol

Synonyms:2-(N-butylamino)ethanol;butylethanolamine

Chemical Property of 2-Butylaminoethanol

Chemical Property:

• Vapor Pressure: 0.0875mmHg at 25°C
• Melting Point: 28.94°C (estimate)
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 199.1 °C at 760 mmHg
• PKA: 14.81±0.10(Predicted)
• Flash Point: 79.3 °C
• PSA: 32.26000
• Density: 0.875 g/cm³
• LogP: 0.75930
• Storage Temp.: 2-8°C
• Solubility.: 1000g/l
• Water Solubility.: 1000g/L at 20℃
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 39.5

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Butylamino)ethanol >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: CCCCNCCO
• Uses: 2-(Butylamino)ethanol (N-Butylethanolamine) may be employed for the synthesis of 4-alkylamino-2,5,6-trimethyl -7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidines and N-butyl-N-(2-nitroxyethyl)nitramine (BuNENA).

Technology Process of 2-Butylaminoethanol

There total 13 articles about 2-Butylaminoethanol 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: 78.0%

oxirane (75-21-8,99932-75-9) + N-butylamine (109-73-9,85404-21-3) → 2-butylamino-ethanol (111-75-1)

Guidance literature:

In ethanol; water; at 30 - 40 ℃;

Reference yield: 73.0%

2-isobutyl-3-butyloxazolidine (1630-71-3) → i-Amyl alcohol (123-51-3) + 2-butylamino-ethanol (111-75-1) + 1-butyl-3-isopropylpyrrole (91322-90-6)

Guidance literature:

With potassium hydroxide; Reflux;

DOI:10.1134/S1070428014020134

Reference yield: 62.0%

4-Butyl-1-oxa-4-aza-spiro[4.5]decane (51370-34-4) → 1-butyl-4,5,6,7-tetrahydro-1H-indole (51265-35-1) + 2-butylamino-ethanol (111-75-1) + cyclohexanol (108-93-0)

Guidance literature:

With potassium hydroxide; Heating; CH₃ONa as reagent;

DOI:10.1007/BF00542786

upstream raw materials:

oxirane

N-butylamine

1-bromo-butane

ethanolamine

Downstream raw materials:

2-(benzyl-butyl-amino)-ethanol

N-butyl-N-(2-hydroxy-ethyl)-benzenesulfonamide

4-butyl-2-phenyl-morpholine

3-Butyl-2-(3-nitro-phenyl)-oxazolidine

Refernces

• 1、 Chen, Aimin,Wang, Houyong,Liu, Rui,Bo, Yingying,Hu, Jun. "N-Alkylation of Alkylolamines with Alcohols Over Mesoporous Solid Acid–Base Cs–B–Zr Catalyst". . p. 1182 - 1193. Retrieved 2016/07/06.
• 2、 Sadykov, E. Kh.,Stankevich,Lobanova,Klimenko. "Synthesis of pyrrole N-derivatives from oxazolidines". . p. 219 - 224. Retrieved 2014/04/17.