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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2062252Generated: October 25, 2026

Diisopropylethylamine → 4-[2-(2-{[2-(Tert-butoxycarbonyl-methyl-amino)-acetyl]-methyl-amino}-acetoxy)-4-methyl-pentanoyl]-piperazine-1-carboxylic acid benzyl ester

https://huagongshe.com/reaction/2062252

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 2733084—
Reactant2-(2-((tert-Butoxycarbonyl)(methyl)amino)-N-methylacetamido)acetic acidHCID 51358234—
Reactant4-(2-Hydroxy-4-methyl-pentanoyl)-piperazine-1-carboxylic acid benzyl esterHCID 67098560—
SolventWaterHCID 962—
SolventDichloromethaneHCID 6344—
SolventTetrahydrofuranHCID 8028—
Product4-[2-(2-{[2-(Tert-butoxycarbonyl-methyl-amino)-acetyl]-methyl-amino}-acetoxy)-4-methyl-pentanoyl]-piperazine-1-carboxylic acid benzyl esterHCID 6709840541%

Reaction Conditions

Temperature65 °C

Reaction Steps

To {[2-(tert-butoxycarbonyl-methyl-amino)-acetyl]-methyl-amino}-acetic acid (427 mg, 1.57 mmol) in 2 mL of THF was added sequentially HBTU (624 mg, 1.2 mmol), diisopropyl ethylamine (860 μL, 4.71 mmol) at room temperature. After 5 min, 4-(2-hydroxy-4-methyl-pentanoyl)-piperazine-1-carboxylic acid benzyl ester (403 mg 1.2 mmol) in 2 mL of THF was added to the reaction mixture, and the solution was heated at 65° C. for 12 h. The reaction mixture was cooled and diluted with 20 mL of CH2Cl2 and 10 mL of water. The organic layer was separated and dried over Na2SO4, and the solvent was removed under reduced pressure to give an oil. The residue was subjected to purification by normal phase LC using 30-100% EtOAc-hexanes to give 4-[2-(2-{[2-(tert-butoxycarbonyl-methyl-amino)-acetyl]-methyl-amino}-acetoxy)-4-methyl-pentanoyl]-piperazine-1-carboxylic acid benzyl ester (283 mg, 41% yield). LC/MS: m/z 577 (M+H)+ at 3.43 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08283354B2
Source datasetuspto-grants-2012_10
ORD IDord-bc09bac69d4841c8800ba6e3e1252d12
Source noteuspto-grants-2012_10