AEEA-AEEA-tBu/3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl esterCAS#: 2409545-30-6; ChemWhat Code: 1417362

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameAEEA-AEEA-tBu/3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl ester
Molecular StructureStructure of AEEA-AEEA-tBu 2409545-30-6
CAS Registry Number 2409545-30-6
Molecular FormulaC16H32N2O7
Molecular Weight364.43
Patent Information
Patent IDTitlePublication Date
EP34986942019
WO2019/1267302019
US2018/2301572018

Physical Data

AppearancePowder

Spectra

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 3 6 12 15-Tetraoxa-9-azaheptadecanoic acid 17-amino-10-oxo-1 1-dimethylethyl ester CAS 2409545-30-6
Route of Synthesis (ROS) of 3 6 12 15-Tetraoxa-9-azaheptadecanoic acid 17-amino-10-oxo-1 1-dimethylethyl ester CAS 2409545-30-6
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; diisopropylamine In dichloromethane at 0 – 20℃; for 6h;

Experimental Procedure
2.2-1.3 Step 3: Preparation of Compound II-1e
Compound II-1d (305 mg, 830 umol)II-1a 8- (Fluorenylmethoxycarbonyl-amino) -3,6-dioxaotanoic acid (478 mg, 1.24 mmol)Dichloromethane (20 mL)After melting in, At 0 to room temperatureI- (3-dimethylaminopropyl) -3-ethylcarbodiimide hydrochloride (318 mg, 1.66 mmol), hydroxybenzotriazole (224 mg, 1.66 mmol) and diisopropylamine (423 μl, 2.49 mmol) Was added. The reaction mixture was stirred at room temperature for 6 hours. After completion of the reaction and extracted with distilled water and brine, the organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure. The concentrated residue was purified by silica gel column chromatography (dichloromethane: methanol = 10: 1 volume ratio) to give the title compound II-1e (570 mg, 92%) as a yellow oil.		92%

Safety and Hazards

No data availabile

Other Data

StorageStore at 2~8° for long time, away from light
Shelf Life1 year
Druglikeness
Lipinski rules component
Molecular Weight364.439
logP-1.151
HBA9
HBD2
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)118.34
Rotatable Bond (RotB)18
Matching Veber Rules1
Use Pattern
AEEA-AEEA-tBu/3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl ester CAS#: 2409545-30-6 as an intermediate in the synthesis of semaglutide. And 3,6,12,15-Tetraoxa-9-azaheptadecanoic acid,17-amino-10-oxo-,1,1-dimethylethyl ester likely plays a crucial role in the production process. Semaglutide is a glucagon-like peptide-1 (GLP-1) receptor agonist used in the treatment of type 2 diabetes.

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