tert-Butyl 2-amino-2-methylpropanoate

Base Information

• Chemical Name: tert-Butyl 2-amino-2-methylpropanoate
• CAS No.: 4512-32-7
• Molecular Formula: C8H17NO2
• Molecular Weight: 159.228
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10427204
• Nikkaji Number: J1.516.743B
• Wikidata: Q72510817
• Mol file: 4512-32-7.mol

Synonyms:4512-32-7;tert-Butyl 2-amino-2-methylpropanoate;2-Aminoisobutyric acid t-butyl ester;Alpha-Aminoisobutyric acid T-Butyl Ester;H-Aib-OtBu;tert-butyl 2-amino-2-methylpropionate;tert-butyl 2-methylalaninate;Alanine, 2-methyl-, 1,1-dimethylethyl ester;MFCD00237698;H-alpha-Me-Ala-OtBu . HCl;H-Aib-OtBu . HCl;t-butyl 2-methylalaninate;H-Aib-OtBu inverted exclamation mark currencyHCl;2-methylalanine t-butyl ester;SCHEMBL320271;DTXSID10427204;LSVYCJILORYVCD-UHFFFAOYSA-N;AMY30890;AKOS010516886;2-Aminoisobutyric acid tert-butyl ester;tert.butyl 2-amino-2-methyl-propionate;BS-32455;SY066580;alpha-Aminoisobutyric acid T-butyl ester HCL;FT-0686513;EN300-304130;F20560

Chemical Property of tert-Butyl 2-amino-2-methylpropanoate

Chemical Property:

• Boiling Point: 180 °C at 760 mmHg
• PKA: 7.98±0.25(Predicted)
• Flash Point: 52.6 °C
• PSA: 52.32000
• Density: 0.948 g/cm³
• LogP: 1.76570
• Storage Temp.: Store at 0°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

98%Min ^*data from raw suppliers

2-Aminoisobutyricacidt-butylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(C)(C)N

Technology Process of tert-Butyl 2-amino-2-methylpropanoate

There total 7 articles about tert-Butyl 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%

benzyloxycarbonyl-α-aminoisobutyric acid tert-butyl ester (4512-31-6) → H-Aib-OtBu (4512-32-7)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c3cc44713h

Reference yield: 52.0%

acetic acid tert-butyl ester (540-88-5) + 2-Aminoisobutyric acid (62-57-7) → H-Aib-OtBu (4512-32-7)

Guidance literature:

With perchloric acid; for 7h; Ambient temperature;

DOI:10.1021/jm960878u

Reference yield:

tert-butyl 2-(benzylamino)-2-methylpropanoate (1355158-73-4) → H-Aib-OtBu (4512-32-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; at 20 ℃; for 18h; under 3677.86 Torr;

upstream raw materials:

benzyloxycarbonyl-α-aminoisobutyric acid tert-butyl ester

acetic acid tert-butyl ester

2-Aminoisobutyric acid

tert-butyl bromoisobutyrate

Downstream raw materials:

Z-Ala-Aib-OtBu

benzyloxycarbonyl-α-methylalanyl-d6-α-methylalanyl-α-methylalanine t-butyl ester

Benzyloxycarbonyl-α-aminoisobutyryl-α-aminoisobutyric acid tert butyl ester

tert-butyl 2-(benzylamino)-2-methylpropanoate

Refernces

• 1、 Polese, Alessandra,Anderson, D. Joe,Millhauser, Glenn,Formaggio, Fernando,Crisma, Marco,Marchiori, Fernando,Toniolo, Claudio. "First interchain peptide interaction detected by ESR in fully synthetic, template-assisted, two-helix bundles". . p. 11071 - 11078. Retrieved 1999.
• 2、 -. "Dipeptide analogs for treating conditions associated with amyloid fibril formation". Page/Page column 21-22. . Retrieved 2015/09/22.
• 3、 De Zotti, Marta,Biondi, Barbara,Peggion, Cristina,Formaggio, Fernando,Park, Yoonkyung,Hahm, Kyung-Soo,Toniolo, Claudio. "Trichogin GA IV: A versatile template for the synthesis of novel peptaibiotics". scheme or table. p. 1285 - 1299. Retrieved 2012/03/07.