2-Amino-2-ethylbutanoic acid

Base Information

• Chemical Name: 2-Amino-2-ethylbutanoic acid
• CAS No.: 2566-29-2
• Molecular Formula: C6H13NO2
• Molecular Weight: 131.175
• Hs Code.: 2922499990
• European Community (EC) Number: 818-415-8
• NSC Number: 23275
• DSSTox Substance ID: DTXSID20180358
• Nikkaji Number: J80.516E
• Wikidata: Q27451515
• Mol file: 2566-29-2.mol

Synonyms:14C-AEB;alpha,alpha-diethylglycine;alpha-amino-2-ethylbutanoic acid;Deg amino acid

Chemical Property of 2-Amino-2-ethylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.0309mmHg at 25°C
• Melting Point: 252.6 °C (decomp)
• Refractive Index: 1.466
• Boiling Point: 225.8 °C at 760 mmHg
• PKA: 2.38±0.10(Predicted)
• Flash Point: 90.3 °C
• PSA: 63.32000
• Density: 1.041 g/cm³
• LogP: 1.28880
• Storage Temp.: Store at RT.
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

Diethylglycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(C(=O)O)N

Technology Process of 2-Amino-2-ethylbutanoic acid

There total 18 articles about 2-Amino-2-ethylbutanoic acid 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: 93.0%

→ diethylglycine (2566-29-2)

Guidance literature:

With hydrogenchloride; In methanol; water; at 70 ℃;

DOI:10.1021/jo030075w

Reference yield:

5,5-diethyl-imidazolidine-2,4-dione (5455-34-5) → diethylglycine (2566-29-2)

Guidance literature:

With barium dihydroxide; water;

Reference yield:

ethyl bromide (74-96-4) + glycine (56-40-6,18875-39-3,25718-94-9) → diethylglycine (2566-29-2)

Guidance literature:

glycine; With nickel(II) iodide; potassium hydroxide; 2-[N-(α-picolyl)amino]benzophenon; In methanol;

ethyl bromide; With sodium t-butanolate; In N,N-dimethyl-formamide; at 20 ℃;

With hydrogenchloride; water; In methanol;

DOI:10.1016/S0040-4039(02)02719-3

upstream raw materials:

potassium cyanide

pentan-3-one

hydrogenchloride

2-ethyl-2-(1-hydroxy-3-oxo-1-phenyl-isoindolin-2-yl)-butyric acid

Downstream raw materials:

4,4-diethyl-oxazolidine-2,5-dione

ethyl 2-amino-2-ethylbutanoate

2-(benzyloxycarboxamido)-2-ethylbutyric?acid

2-ethyl-2-(2-chloro-acetylamino)-butyric acid

Refernces

• 1、 Arduin, Marika,Spagnolo, Barbara,Calo, Girolamo,Guerrini, Remo,Carra, Giacomo,Fischetti, Carmela,Trapella, Claudio,Marzola, Erika,McDonald, John,Lambert, David G.,Regoli, Domenico,Salvadori, Severo. "Synthesis and biological activity of nociceptin/orphanin FQ analogues substituted in position 7 or 11 with Cα,α-dialkylated amino acids". . p. 4434 - 4443. Retrieved 2008/03/13.
• 2、 Belokon, Yuri N.,Bespalova, Natalia B.,Churkina, Tatiana D.,Cisarova, Ivana,Ezernitskaya, Marina G.,Harutyunyan, Syuzanna R.,Hrdina, Radim,Kagan, Henri B.,Kocovsky, Pavel,Kochetkov, Konstantin A.,Larionov, Oleg V.,Lyssenko, Konstantin A.,North, Michael,Polasek, Miroslav,Peregudov, Alexander S.,Prisyazhnyuk, Vladimir V.,Vyskocil, Stepan. "Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases". . p. 12860 - 12871. Retrieved 2007/10/03.