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L-Aspartic acid 4-tert-butyl ester

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  • 2026-01-17
  • CAS:3057-74-7
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  • Purity: 98%
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L-Aspartic acid 4-tert-butyl ester Basic information
Product Name:L-Aspartic acid 4-tert-butyl ester
Synonyms:L-ASPARTIC ACID 4-TERT-BUTYL ESTER;L-ASPARTIC ACID B-TERT-BUTYL ESTER;L-ASPARTIC ACID BETA-T-BUTYL ESTER MONOHYDRATE;L-ASPARTIC ACID BETA-T-BUTYL ESTER;ASPARTIC ACID BETA T-BUTYL ESTER MONOHYDRATE;ASPARTIC ACID(OTBU);H-ASP(OBUT)-OH;H-ASP(OTBU)-OH
CAS:3057-74-7
MF:C8H15NO4
MW:189.21
EINECS:221-292-8
Product Categories:Aspartic acid [Asp, D];Amino Acids and Derivatives;Amino Acid Derivatives;Aspartic Acid;Peptide Synthesis;Amino Acids;Amino Acids Derivatives
Mol File:3057-74-7.mol
L-Aspartic acid 4-tert-butyl ester Structure
L-Aspartic acid 4-tert-butyl ester Chemical Properties
Melting point 220°C (dec.)
Boiling point 318.7±37.0 °C(Predicted)
density 1.162±0.06 g/cm3(Predicted)
storage temp. Keep in dark place,Inert atmosphere,Room temperature
solubility Methanol (Slightly), Water (Slightly, Sonicated)
form Solid
pka2.19±0.23(Predicted)
color White to Off-White
Optical Rotation[α]20/D 9±2°, c = 2% in methanol: water (4:1)
BRN 4671089
Stability:Hygroscopic
Major Applicationpeptide synthesis
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)/t5-/m0/s1
InChIKeyMXWMFBYWXMXRPD-YFKPBYRVSA-N
SMILESC(O)(=O)[C@H](CC(OC(C)(C)C)=O)N
CAS DataBase Reference3057-74-7(CAS DataBase Reference)
Safety Information
Risk Statements 36/37/38
Safety Statements 22-24/25-44-35-28-7-4
WGK Germany 3
HS Code 29225090
Storage Class11 - Combustible Solids
MSDS Information
ProviderLanguage
SigmaAldrich English
L-Aspartic acid 4-tert-butyl ester Usage And Synthesis
Chemical PropertiesWhite powder
UsesL-Aspartic acid 4-tert-butyl ester is a protected form of L-Aspartic acid (A790024). L-Aspartic acid is a nonessential amino acid that is used to biosynthesize other amino acids within the human body. L-Aspartic acid also increases membrane conductance of mammalian neurons by voltage-dependent means, causing depolarization and nerve impulses that travel to key areas of the central nervous system.
reaction suitabilityreaction type: solution phase peptide synthesis
Synthesis

In a 3000 mL three-necked bottle, add 1000 mL of dichloromethane, cool down to -5??C, add 344 g of anhydrous p-toluenesulfonic acid and 133 g of aspartic acid, pass through 448 g of isobutene, and maintain the reaction at -5??C for 50 hours; and then adjust the pH to 7 with a 10% aqueous solution of Na2CO3, separate the liquid, the aqueous layer was left to stand, and evaporate it under reduced pressure to produce Asp(OtBu)2, _ x000D_ Asp(OtBu) and Asp-OtBu oily mixture, the oily layer and the aqueous layer combined to be used, the yield was 58.4%.

The resulting mixture was transferred to a 3000 mL three-necked flask, 125 g of CuSO4-5H2O was added, and the was adjusted with concentrated hydrochloric acid. pH 3, stirring to raise the temperature to 40 ?? C, the reaction for 16 hours to produce Cu[Asp(OtBu)]x (x = 1 ~ 2); then reduced to room temperature, add 186.3 g Na2EDTA-2H2O and 400mL dioxane, and adjust the pH to 8~9 with triethylamine to produce L-aspartic acid-4-tert-butyl ester.

Tag:L-Aspartic acid 4-tert-butyl ester(3057-74-7) Related Product Information
Butyl acetate D-Aspartic acid L-ASPARTIC ACID Potassium L-aspartate Sodium L-aspartate 4-tert-Butylcyclohexyl acetate L-Aspartic acid DL-Aspartic acid magnesium salt tetrahydrate Cyhalofop-butyl BUTYL OLEATE Buprofezin Magnesium L-aspartate Dimethyl succinate tert-Butyl methyl ether Methyl acrylate Tris(trimethylsilyl)phosphate Calcium L-aspartate Fmoc-Asp(OtBu)-OH

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