H-Asp-OtBu

Base Information

• Chemical Name: H-Asp-OtBu
• CAS No.: 4125-93-3
• Molecular Formula: C8H15NO4
• Molecular Weight: 189.211
• Hs Code.: 2922509090
• European Community (EC) Number: 965-044-3
• Nikkaji Number: J2.721.280H
• Mol file: 4125-93-3.mol

Synonyms:H-Asp-OtBu;4125-93-3;(S)-3-Amino-4-(tert-butoxy)-4-oxobutanoic acid;L-Aspartic Acid tert-Butyl Ester;L-Aspartic acid 1-tert-butyl ester;(S)-3-amino-4-tert-butoxy-4-oxobutanoic acid;MFCD00171675;aspartic acid t-butyl ester;SCHEMBL375959;PUWCNJZIFKBDJQ-YFKPBYRVSA-N;L-Aspartic acid |A-tert.butyl ester;H-L-Asp-OtBu;L-Aspartic acid alpha-tert-butyl ester;L-Aspartic acid a-tert-butyl ester;AKOS016842887;AM81597;CS-W006400;HY-W006400;AC-19185;AS-17654;(S)-2-Amino-succinic acid 1-tert-butyl ester;D-Aspartic Acid 1-(1,1-Dimethylethyl) Ester;F16420;EN300-2010109;(3S)-3-AMINO-4-(TERT-BUTOXY)-4-OXOBUTANOIC ACID;(3S)-3-Amino-4-tert-butoxy-4-oxobutanoic acid, AldrichCPR

Chemical Property of H-Asp-OtBu

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.000316mmHg at 25°C
• Melting Point: 180-181 °C (decomp)
• Refractive Index: 1.475
• Boiling Point: 297.8 °C at 760 mmHg
• PKA: 3.48±0.19(Predicted)
• Flash Point: 133.9 °C
• PSA: 89.62000
• Density: 1.126 g/cm³
• LogP: 0.83040
• Storage Temp.: Store at 0°C
• Solubility.: Methanol (Heated, Sonicated), Water (Slightly)
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 189.10010796
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

L-AsparticAcid1-tert-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(CC(=O)O)N
• Isomeric SMILES: CC(C)(C)OC(=O)[C@H](CC(=O)O)N

Technology Process of H-Asp-OtBu

There total 5 articles about H-Asp-OtBu 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:

methanol (67-56-1) + aqueous sodium bi-sulfate + indan-1,2,3-trione hydrate (485-47-2) + di-tert-butyl dicarbonate (24424-99-5) + 3-amino propanoic acid (107-95-9) → Asparaginsaeure-α-tert-butylester (4125-93-3,148823-36-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; chloroform; water;

Reference yield:

→ Asparaginsaeure-α-tert-butylester (4125-93-3,148823-36-3)

Guidance literature:

Aspartat VI, K2CO3, Ether (Hydrolyse);

DOI:10.1021/jo00868a025

Reference yield:

Fmoc-Asp-O-t-Bu (129460-09-9,134098-70-7) → (S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid (4125-93-3)

Guidance literature:

With piperidine; In N,N-dimethyl-formamide; for 0.333333h;

upstream raw materials:

methanol

indan-1,2,3-trione hydrate

di-tert-butyl dicarbonate

3-amino propanoic acid

Downstream raw materials:

(S)-2-benzyloxycarbonylamino-succinic acid 1-tert-butyl ester

tert-butyl N-[(benzyloxy)carbonyl]-L-homoserinate

C₆₅H₉₇N₃O₁₆S₂

2(S)-2-(benzyloxycarbonylamino)-4-iodobutyric acid tert-butyl ester