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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 535176Generated: October 27, 2026

Acetonitrile → HCID 178447149, compound

https://huagongshe.com/reaction/535176

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—
SolventDimethylformamideHCID 6228—
SolventIsoamyl AlcoholHCID 31260—
ProductHCID 178447149HCID 17844714924.2%

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 3-methyl-butan-1-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 (28 mg; purity 95%). MS m/z [M+H]+ calc'd for C27H34N4O4, 479.26. found 479.4.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08853427B2
Source datasetuspto-grants-2014_10
ORD IDord-422a172ad51448b1a2a07dacb7163f8e
Source noteuspto-grants-2014_10