Ethyl 2-amino-2-methylpropanoate

Base Information

• Chemical Name: Ethyl 2-amino-2-methylpropanoate
• CAS No.: 1113-49-1
• Molecular Formula: C6H13 N O2
• Molecular Weight: 131.175
• Hs Code.: 2922499990
• European Community (EC) Number: 214-204-4
• NSC Number: 28848
• DSSTox Substance ID: DTXSID80149587
• Nikkaji Number: J217.235F
• Wikidata: Q83015425
• Mol file: 1113-49-1.mol

Synonyms:ethyl 2-amino-2-methylpropanoate;1113-49-1;Ethyl 2-methylalaninate;Alanine, 2-methyl-, ethyl ester;EINECS 214-204-4;2-amino-2-methylpropanoic acid ethyl ester;2-amino-2-methyl-propionic acid ethyl ester;ethyl aminoisobutyrate;ethyl 2-aminoisobutyrate;2-methylalanine ethyl ester;SCHEMBL1134032;ethyl2-amino-2-methylpropanoate;DTXSID80149587;BAA11349;ethyl 2-azanyl-2-methyl-propanoate;NSC28848;NSC 28848;NSC-28848;AKOS010012194;CS-0451162;FT-0763570;EN300-145412;A802547;A851069

Chemical Property of Ethyl 2-amino-2-methylpropanoate

Chemical Property:

• Vapor Pressure: 4.8mmHg at 25°C
• Melting Point: 155-157 °C
• Boiling Point: 145.7°Cat760mmHg
• PKA: 8.15±0.25(Predicted)
• Flash Point: 20.7°C
• PSA: 52.32000
• Density: 0.973g/cm³
• LogP: 0.98710
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

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

Ethyl2-Amino-2-methylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)N

Technology Process of Ethyl 2-amino-2-methylpropanoate

There total 6 articles about Ethyl 2-amino-2-methylpropanoate 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: 100.0%

ethanol (64-17-5) + 2-Aminoisobutyric acid (62-57-7) → 2-methylalanine ethyl ester (1113-49-1)

Guidance literature:

With thionyl chloride; for 12h; Heating;

DOI:10.1002/1522-2675(20010131)84:1<32::AID-HLCA32>3.0.CO;2-4

Reference yield:

C13H17NO2 (130146-17-7) → 2-methylalanine ethyl ester (1113-49-1)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; for 4h;

DOI:10.1002/ejoc.200800907

Reference yield:

→ 2-methylalanine ethyl ester (1113-49-1)

Guidance literature:

With lead(II) hydroxide on calcium carbonate; durch Destillation im Vakuum;

upstream raw materials:

ethanol

2-amino-2-cyanopropane

2-Aminoisobutyric acid

C₁₃H₁₇NO₂

Downstream raw materials:

Z-Aib-OH

α-phenoxycarbonylamino-isobutyric acid ethyl ester

α-p-tolyloxycarbonylamino-isobutyric acid ethyl ester

2-amino-2-methylpropionic acid methyl ester

Refernces

• 1、 Jalce, Gael,Franck, Xavier,Figadere, Bruno. "Synthesis and use of achiral oxazolidine-2-thiones in selective preparation of trans 2,5-disubstituted tetrahydrofurans". body text. p. 378 - 386. Retrieved 2009/09/25.
• 2、 Tanaka, Masakazu,Oba, Makoto,Imawaka, Naoto,Tanaka, Yoshitsugu,Kurihara, Masaaki,Suemune, Hiroshi. "Conformational Study of Heteropentapeptides Containing an α-Ethylated α,α-Disubstituted Amino Acid: (S)-Butylethylglycine (=2-Amino-2-ethylhexanoic Acid) within a Sequence of Dimethylglycine (= 2-Aminoisobutyric Acid) Residues". . p. 32 - 46. Retrieved 2007/10/03.