2-(Isobutylamino)ethanol

Base Information

• Chemical Name: 2-(Isobutylamino)ethanol
• CAS No.: 17091-40-6
• Molecular Formula: C6H15 N O
• Molecular Weight: 117.191
• Hs Code.: 2922199090
• European Community (EC) Number: 241-159-8
• NSC Number: 30676
• UNII: R7PYM6KM6P
• DSSTox Substance ID: DTXSID00168972
• Nikkaji Number: J49.837H
• Wikidata: Q83038594
• Mol file: 17091-40-6.mol

Synonyms:2-(Isobutylamino)ethanol;17091-40-6;2-Isobutylaminoethanol;2-(2-methylpropylamino)ethanol;ETHANOL, 2-(ISOBUTYL)AMINO-;Ethanol, 2-((2-methylpropyl)amino)-;EINECS 241-159-8;NSC 30676;R7PYM6KM6P;BRN 1732709;Ethanol, 2-(isobutylamino)-;NSC-30676;Ethanol, 2-[(2-methylpropyl)amino]-;3-04-00-00683 (Beilstein Handbook Reference);NSC30676;2-isobutylamino-ethanol;UNII-R7PYM6KM6P;2-(isobutyl amino)ethanol;2-(Isobutylamino)-1-ethanol;SCHEMBL605994;WLN: Q2M1Y1&1;DTXSID00168972;2-[(2-Methylpropyl)amino]ethanol;MFCD01727853;2-[(2-methylpropyl)amino]ethan-1-ol;AKOS000253540;LS-66833;EN300-1723253

Chemical Property of 2-(Isobutylamino)ethanol

Chemical Property:

• Vapor Pressure: 0.0852mmHg at 25°C
• Melting Point: 28.94°C (estimate)
• Refractive Index: 1.4402
• Boiling Point: 199.5°Cat760mmHg
• Flash Point: 72.1°C
• PSA: 32.26000
• Density: 0.872g/cm³
• LogP: 0.61520
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 45.8

Purity/Quality:

98%min ^*data from raw suppliers

2-(isobutylamino)ethanolhydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNCCO

Technology Process of 2-(Isobutylamino)ethanol

There total 9 articles about 2-(Isobutylamino)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: 78.0%

oxirane (75-21-8,99932-75-9) + isobutylamine (78-81-9) → 2-(isobutylamino)ethanol (17091-40-6)

Guidance literature:

In methanol; at -65 - 20 ℃; for 14h;

Reference yield: 47.0%

N-isobutyl-2,2-pentamethylene-1,3-oxazolidine (80066-51-9) → 1-isobutyl-4,5,6,7-tetrahydro-indole (62372-29-6) + 2-(isobutylamino)ethanol (17091-40-6) + cyclohexanol (108-93-0)

Guidance literature:

With potassium hydroxide; Heating; CH₃ONa as reagent;

DOI:10.1007/BF00542786

Reference yield:

2-(N-isopropylidene)aminoethanol (95759-31-2) → 2-(isobutylamino)ethanol (17091-40-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h;

DOI:10.1021/ol3011425

upstream raw materials:

oxirane

isobutylamine

2-isopropyltetrahydro-1,3-oxazole

Isobutyl bromide

Downstream raw materials:

4-methylamino-benzoic acid-(2-isobutylamino-ethyl ester)

4-ethoxy-benzoic acid-(2-isobutylamino-ethyl ester); hydrochloride

4-ethylamino-benzoic acid-(2-isobutylamino-ethyl ester)