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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2405805Generated: November 3, 2026

Hydrochloric Acid → HCID 68617266, compound

https://huagongshe.com/reaction/2405805

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantDiisopropylethylamineHCID 81531—
Reactant2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acidHCID 3559319—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant1,4-Dioxane hydrochlorideHCID 20443148—
ReactantHCID 68615943HCID 68615943—
SolventTetrahydrofuranHCID 8028—
SolventEthyl AcetateHCID 8857—
ProductHCID 68617266HCID 68617266156.8%

Reaction Steps

A solution of 2-(1-methoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester (prepared as described in Example 27; 0.50 g, 0.98 mmol) in THF (3 mL) was treated with 4M HCl in dioxanes (1.2 mL, 4.9 mmol) at rt. After 4 h, additional 2-(1-methoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester (0.30 g, 0.58 mmol) and 4M HCl/dioxane solution (5 mL) were added. After an additional 4 h, the solvent was removed in vacuo and the resulting foamy white solid was taken up in DMF (3 mL) and treated with tert-Butoxycarbonylamino-cyclohexyl-acetic acid (0.55 g, 2.1 mmol), HATU (1.0 g, 2.7 mmol) and DIPEA (0.78 mL, 4.5 mmol) at rt and allowed to age overnight. The reaction mixture was diluted in EtOAc and washed consecutively with saturated NaHCO3, brine and then dried over anhydrous Na2SO4. After concentration in vacuo, the residue was purified via column chromatography on SiO2 (0-75% EtOAc/hex) to produce 1.0 g (89% over two steps) of 1-{[1-(2-tert-butoxycarbonylamino-2-cyclohexyl-acetyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid methyl ester as an off-white solid. LCMS found 651.1 [M+H]+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08809267B2
Source datasetuspto-grants-2014_08
ORD IDord-3350ef7c9f1340bb8eedd415b6da09c0
Source noteuspto-grants-2014_08