Name | H-Asp(OtBu)-OH |
Synonyms | H-ASP(OTBU)-OH H-ASP(OBUT)-OH H-Asp(OtBu)-OH ASPARTIC ACID(OTBU) L-ASPARTIC ACID B-TERT-BUTYL ESTER L-ASPARTIC ACID BETA-T-BUTYL ESTER L-Aspartic acid-4-tert-butyl ester L-ASPARTIC ACID 4-TERT-BUTYL ESTER L-Aspartic acid 4-tert-butyl ester (2S)-2-ammonio-4-tert-butoxy-4-oxobutanoate (2R)-2-ammonio-4-tert-butoxy-4-oxobutanoate ASPARTIC ACID BETA T-BUTYL ESTER MONOHYDRATE L-ASPARTIC ACID BETA-T-BUTYL ESTER MONOHYDRATE 2-amino-4-tert-butoxy-4-oxobutanoic acid (non-preferred name) |
CAS | 3057-74-7 |
EINECS | 221-292-8 |
InChI | InChI=1/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)/t5-/m1/s1 |
Molecular Formula | C8H15NO4 |
Molar Mass | 189.21 |
Density | 1.162±0.06 g/cm3(Predicted) |
Melting Point | 220°C (dec.) |
Boling Point | 318.7±37.0 °C(Predicted) |
Flash Point | 146.5°C |
Solubility | Methanol (Slightly), Water (Slightly, Sonicated) |
Vapor Presure | 7.48E-05mmHg at 25°C |
Appearance | Solid |
Color | White to Off-White |
BRN | 4671089 |
pKa | 2.19±0.23(Predicted) |
Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
Stability | Hygroscopic |
Refractive Index | 1.475 |
MDL | MFCD00038577 |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S44 - S35 - This material and its container must be disposed of in a safe way. S28 - After contact with skin, wash immediately with plenty of soap-suds. S7 - Keep container tightly closed. S4 - Keep away from living quarters. |
WGK Germany | 3 |
HS Code | 29225090 |
Application | L-aspartate-4-tert-butyl ester is abbreviated as Asp(OtBu), which can be prepared by the reaction of aspartic acid and isobutylene. It has been reported that it can be used to prepare (Asp)8-ODN conjugates. |
preparation | 1000mL of dichloromethane was added into a 3000mL three-mouth bottle, the temperature was reduced to -5 ℃, 344g of anhydrous p-toluenesulfonic acid and 133g of aspartic acid was added, 448g of isobutylene was introduced, and the reaction was maintained at -5 ℃ for 50 hours. Then adjust the pH to 7 with 10% Na2CO3 aqueous solution, separate the solution, wait for use in the aqueous layer, evaporate under, A mixture of Asp(OtBu)2, Asp(OtBu) and Asp-OtBu oil was prepared, and the oil was combined with the water layer for later use with a yield of 58.4%. The obtained mixture was transferred into a 3000mL three-mouth bottle, 125 gCuSO4 · 5H2O was added, pH was adjusted to 3 with concentrated hydrochloric acid, stirred and heated to 40 ℃, and reacted for 16 hours to prepare Cu[Asp(OtBu)]x(x = 1~2); When it is reduced to room temperature, 186.3g Na2EDTA · 2H2O and 400mL dioxane are added, and the pH is adjusted to 8~9 with triethylamine, L-aspartate -4-tert-butyl ester was prepared. |