Tert-butyl 2-amino-2-methylpropanoate hydrochloride

Base Information

• Chemical Name: Tert-butyl 2-amino-2-methylpropanoate hydrochloride
• CAS No.: 84758-81-6
• Molecular Formula: C8H17NO2.ClH
• Molecular Weight: 195.689
• Hs Code.: 2922499990
• European Community (EC) Number: 814-207-6
• DSSTox Substance ID: DTXSID80479659
• Mol file: 84758-81-6.mol

Synonyms:84758-81-6;Tert-butyl 2-amino-2-methylpropanoate hydrochloride;H-Aib-OtBu HCl;H-Aib-OtBu.HCl;MFCD08272284;tert-butyl 2-amino-2-methylpropanoate;hydrochloride;tert-butyl 2-amino-2-methylpropionate hydrochloride;H-alpha-Me-Ala-OtBu . HCl;YZKDXIFGPWUKTI-UHFFFAOYSA-N;Alanine, 2-methyl-, 1,1-dimethylethyl ester, hydrochloride;H-Aib-OtBu hydrochloride;H--Me-Ala-OtBu HCl;SCHEMBL485921;DTXSID80479659;AKOS016000315;CS-W019407;DS-0957;SY102341;a-Aminoisobutyric acid tert-butyl ester HCl;FT-0699047;tert.-butyl 2-amino-isobutyrate hydrochloride;EN300-321413;Tert-butyl2-amino-2-methylpropanoatehydrochloride;A864011;TERT-BUTYL 2-AMINO-2-METHYLPROPANOATE HCL;tert-Butyl 2-amino-2-methyl-propanoate hydrochloride;alpha-Aminoisobutyric acid-t-butyl ester hydrochloride;2-amino-2-methyl-propionic acid tert-butyl ester hydrochloride

Chemical Property of Tert-butyl 2-amino-2-methylpropanoate hydrochloride

Chemical Property:

• PSA: 52.32000
• LogP: 2.56770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Soluble in water or 1% acetic acid.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.1026065
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl2-amino-2-methylpropanoatehydrochloride ^*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.Cl
• Uses: tert-Butyl 2-aminoisobutyrate hydrochloride is used as intermediates.

Technology Process of Tert-butyl 2-amino-2-methylpropanoate hydrochloride

There total 1 articles about Tert-butyl 2-amino-2-methylpropanoate hydrochloride 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: 75.0%

benzyloxycarbonyl-α-aminoisobutyric acid tert-butyl ester (4512-31-6) → 2-amino-isobutyric acid tert-butyl ester hydrochloride (84758-81-6)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/0040-4020(82)85164-8

Reference yield: 100.0%

2-benzylbenzaldehyde (32832-95-4) + 2-amino-isobutyric acid tert-butyl ester hydrochloride (84758-81-6) → tert-butyl 2-{[1-(2-benzylphenyl)methylidene]amino}-2-methylpropionate (1179805-07-2)

Guidance literature:

With triethylamine; In 1,1-dichloroethane; at 20 ℃; Reflux;

Reference yield: 91.0%

C10H8BrNO3 + 2-amino-isobutyric acid tert-butyl ester hydrochloride (84758-81-6) → C18H25BrN2O5

Guidance literature:

In dichloromethane; at 20 ℃; for 4h;

upstream raw materials:

benzyloxycarbonyl-α-aminoisobutyric acid tert-butyl ester

Downstream raw materials:

tert-butyl N-[N-benzyloxycarbonyl-(S)-phenylalanyl]-2,2-dimethylglycinate

H-Leu-Aib-Phe-Aib-OtBu

tert-butyl N-{N-[N-(N-benzyloxycarbonyl-(S)-leucyl)-2,2-dimethylglycyl]-(S)-phenylalanyl}-2,2-dimethylglycinate

H-Gly-Aib-Leu-Aib-Phe-Aib-OtBu