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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 251321Generated: October 30, 2026

Diisopropylethylamine → Benzyl (2s,3s)-2-(2-(2-(tert-butoxycarbonylamino)-5-(trifluoromethoxy)benzamido)acetamido)-3-hydroxyhex-4-ynylcarbamate

https://huagongshe.com/reaction/251321

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
Reactant2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethoxy)benzoic acidHCID 2773441—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactantbenzyl (2S,3S)-2-(2-aminoacetamido)-3-hydroxyhex-4-ynylcarbamateHCID 86596714—
Solventdichloromethane N,N-dimethylformamideHCID 22350042—
ProductBenzyl (2s,3s)-2-(2-(2-(tert-butoxycarbonylamino)-5-(trifluoromethoxy)benzamido)acetamido)-3-hydroxyhex-4-ynylcarbamateHCID 90768644—

Reaction Steps

A solution of benzyl (2S,3S)-2-[2-(tert-butoxycarbonylamino)acetamido]-3-hydroxyhex-4-ynylcarbamate (700 mg; see WO-02/50019 for preparation) in methylene chloride (12 mL) was cooled to 0° C. and charged with trifluoroacetic acid (4 mL). The mixture was allowed to warm to RT and stirred for 45 min before being concentrated in vacuo. The residue was dissolved in methylene chloride and the resultant solution concentrated; this was repeated twice more to afford the TFA salt of benzyl (2S,3S)-2-(2-aminoacetamido)-3-hydroxyhex-4-ynylcarbamate, MS found: (M+H)+=320.6. A solution of this amine in 1:1 CH2Cl2/DMF (10 mL) was charged successively with N,N-diisopropylethylamine (0.84 mL), 2-(tert-butoxycarbonylamino)-5-(trifluoromethoxy)benzoic acid (322 mg, see WO-02/50019), and HATU (544 mg). The reaction was stirred for 14 h at RT before being partitioned between EtOAc and water. The organic phase was washed with sat. NH4Cl, water, and brine before being dried (Na2SO4), filtered, and concentrated in vacuo. The residue was purified by flash chromatography to afford benzyl (2S,3S)-2-(2-(2-(tert-butoxycarbonylamino)-5-(trifluoromethoxy)benzamido)acetamido)-3-hydroxyhex-4-ynylcarbamate (182 mg). MS found: (M+H)+=623.3.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07863333B2
Source datasetuspto-grants-2011_01
ORD IDord-8fe19f5e6ad8439fb168bdd29db65fa1
Source noteuspto-grants-2011_01