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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 523394Generated: October 26, 2026

Acetonitrile → HCID 178459557, compound

https://huagongshe.com/reaction/523394

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
Reactant1,4-DioxaneHCID 31275—
ReactantDiisopropylethylamineHCID 81531—
Reactant4-Carboxy-1,2,3-triazoleHCID 140120—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant(2S,4R)-4-Amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methylpentanoic acidHCID 68181056—
SolventHydrochloric AcidHCID 313—
SolventIsopropanolHCID 3776—
SolventDimethylformamideHCID 6228—
ProductHCID 178459557HCID 17845955734.9%

Reaction Steps

(2S,4R)-4-Amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid (76 mg, 242 μmol) in MeCN (0.4 mL, 8 mmol) and 4 M HCl in 1,4-dioxane (242 μL, 969 μmol) was combined with propan-2-ol (0.5 mL) at 60° C. The resulting mixture was stirred until solid precipitation was observed (˜30 minutes). The solvent was evaporated under vacuum and the solids were azeotroped in toluene and dried under vacuum. 1,2,3-Triazole-4-carboxylic acid (0.0274 g, 0.242 mmol), DIPEA (169 μL, 969 μmol) and HATU (92 mg, 242 μmol) were combined in DMF (0.2 mL) and stirred for 5 minutes at room temperature. This was then combined with the dried solids, predissolved in DMF (0.2 mL) and DIPEA (0.5 eq.). The resulting mixture was stirred for 15 minutes and the reaction was quenched with AcOH. The product was purified by preparative HPLC and lyophilized to yield the title compound (38 mg; purity 95%). MS m/z [M+H]+ calc'd for C25H30N4O4, 451.23. found 451.4.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09334245B2
Source datasetuspto-grants-2016_05
ORD IDord-ce5a83055c904a189d7902acd5325a9c
Source noteuspto-grants-2016_05