2-(tert-Butylamino)ethanol

Base Information

• Chemical Name: 2-(tert-Butylamino)ethanol
• CAS No.: 4620-70-6
• Deprecated CAS: 81752-37-6
• Molecular Formula: C6H15 N O
• Molecular Weight: 117.191
• Hs Code.: 2922 19 00
• European Community (EC) Number: 225-034-5
• NSC Number: 78430
• UNII: 72174ZJW10
• DSSTox Substance ID: DTXSID1044431
• Nikkaji Number: J150.081C
• Wikidata: Q27266003
• ChEMBL ID: CHEMBL3188116
• Mol file: 4620-70-6.mol

Synonyms:tert-butylaminoethanol;tert-butylaminoethanol hydrochloride

Chemical Property of 2-(tert-Butylamino)ethanol

Chemical Property:

• Appearance/Colour: white solid or crystalline needles
• Vapor Pressure: 0.332mmHg at 25°C
• Melting Point: 41-43 °C(lit.)
• Refractive Index: 1.4444 (estimate)
• Boiling Point: 90-92 °C25 mm Hg(lit.)
• PKA: 14.81±0.10(Predicted)
• Flash Point: 68.9°C
• PSA: 32.26000
• Density: 0.874g/cm³
• LogP: 0.75770
• Storage Temp.: Store below +30°C.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 56

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Moderately toxic by ingestion and skin contact. A severe eye irritant.
• Hazard Codes: C
• Statements: 21-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)NCCO

Technology Process of 2-(tert-Butylamino)ethanol

There total 6 articles about 2-(tert-Butylamino)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: 70.0%

oxirane (75-21-8,99932-75-9) + tert-butylamine (75-64-9) → 2-[(1,1-dimethylethyl)amino]-ethanol (4620-70-6)

Guidance literature:

In ethanol; water; at 30 - 40 ℃;

Reference yield:

ethanolamine (141-43-5) + tert-butyl alcohol (75-65-0) → 2-[(1,1-dimethylethyl)amino]-ethanol (4620-70-6)

Guidance literature:

With mesoporous Cs-B-Zr mixed oxide; In neat (no solvent); at 220 ℃; for 0.5h; under 32253.2 Torr; Autoclave; Inert atmosphere; Green chemistry;

DOI:10.1007/s10562-016-1737-2

Reference yield:

2-Chloroethyl chloroformate (627-11-2) + tert-butylamine (75-64-9) → 2-[(1,1-dimethylethyl)amino]-ethanol (4620-70-6)

Guidance literature:

With water; sodium carbonate; Behandeln des Reaktionsprodukts mit methanol.Kalilauge;

DOI:10.1021/ja01148a523

upstream raw materials:

oxirane

tert-butylamine

2-Chloroethyl chloroformate

water

Downstream raw materials:

Acrylsaeure-(2--aethyl)-ester

2-tert-butylaminoethyl methacrylate

2-[tert-butyl-(4,5-diphenyl-oxazol-2-yl)-amino]-ethanol

tert-Butyl-[2-(4-nitro-phenoxy)-ethyl]-amine; hydrochloride

Refernces

• 1、 -. "Process for the continuous preparation of hydroxyalkylamides". . . Retrieved 2008/06/13.
• 2、 Plesch, Winfried,Wiessler, Manfred. "Syntheses of α-C-Functionalized N-Nitrodialkylamines: Esters of methanol and 1-ethanol". . p. 1494 - 1503. Retrieved 2007/10/02.