H-ASP(OTBU)-OTBU HCL

Base Information

• Chemical Name: H-ASP(OTBU)-OTBU HCL
• CAS No.: 1791-13-5
• Molecular Formula: C₁₂H₂₃NO₄*ClH
• Molecular Weight: 281.78
• Hs Code.: 29224999
• Mol file: 1791-13-5.mol

Synonyms:Asparticacid, di-tert-butyl ester, hydrochloride (7CI);Aspartic acid, di-tert-butylester, hydrochloride, L- (8CI);L-Aspartic acid, bis(1,1-dimethylethyl) ester,hydrochloride (9CI);L-Aspartic acid di-tert-butyl ester hydrochloride;H-Asp(OtBu)-OtBu.HCl;H-D-Asp(otBu)-OtBu·HCl;

Chemical Property of H-ASP(OTBU)-OTBU HCL

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 6.39E-05mmHg at 25°C
• Melting Point: 152-155 °C
• Boiling Point: 339.8 °C at 760 mmHg
• Flash Point: 159.3 °C
• PSA: 78.62000
• LogP: 2.88950
• Storage Temp.: −20°C
• Solubility.: soluble in Methanol

Purity/Quality:

L-Aspartic acid di-tert-butyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: L-Aspartic acid di-tert-butyl ester hydrochloride may be used in neurological comparison studies with structurally similar compounds such as L-Glutamic acid di-tert-butyl ester.

Technology Process of H-ASP(OTBU)-OTBU HCL

There total 3 articles about H-ASP(OTBU)-OTBU HCL 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: 80.0%

1,4-di-tert-butyl (2S)-2-{[(benzyloxy)carbonyl]amino}butanedioate (42417-76-5) → L-aspartic acid di-tert-butyl ester hydrochloride (1791-13-5,135904-71-1)

Guidance literature:

1,4-di-tert-butyl (2S)-2-{[(benzyloxy)carbonyl]amino}butanedioate; With palladium 10% on activated carbon; ammonium formate; In ethanol; at 20 ℃; for 18h; Inert atmosphere;

With hydrogenchloride; In ethyl acetate; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tet.2014.09.004

Reference yield:

L-aspartic acid di-tert-butyl ester (13795-73-8) → L-aspartic acid di-tert-butyl ester hydrochloride (1791-13-5,135904-71-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; ethyl acetate; at 5 - 10 ℃; for 0.5h;

Reference yield:

acetic acid tert-butyl ester (540-88-5) → L-aspartic acid di-tert-butyl ester hydrochloride (1791-13-5,135904-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: boron trifluoride diethyl etherate / 18 h / 20 °C / Inert atmosphere

2.1: palladium 10% on activated carbon; ammonium formate / ethanol / 18 h / 20 °C / Inert atmosphere

2.2: 1 h / 0 °C / Inert atmosphere

With palladium 10% on activated carbon; boron trifluoride diethyl etherate; ammonium formate; In ethanol;

DOI:10.1016/j.tet.2014.09.004

upstream raw materials:

L-aspartic acid di-tert-butyl ester

acetic acid tert-butyl ester

1,4-di-tert-butyl (2S)-2-{[(benzyloxy)carbonyl]amino}butanedioate

Downstream raw materials:

N-(N-Benzyloxycarbonyl-L-γ-glutamyl-1-tert.-butylester)-L-asparaginsaeure-di-tert.-butylester

L-Asp(t-Bu)

H-Tyr-Asp-OH

Refernces

• 1、 -. "Preparation of protected amino acids". Page 4. . Retrieved 2008/06/13.