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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1498405Generated: November 1, 2026

Chloroacetic Acid → HCID 131729896, compound

https://huagongshe.com/reaction/1498405

Reaction equation

Participants

RoleNameHCIDCharge
ReactantChloroacetic AcidHCID 300—
ReactantTriphenylphosphineHCID 11776—
Reactantethyl N-ethoxycarbonyliminocarbamateHCID 220568—
ReactantHCID 131729895HCID 131729895—
SolventTetrahydrofuranHCID 8028—
ProductHCID 131729896HCID 131729896120.9%

Reaction Steps

Racemic-trans-3-Hydroxy-4-[2-(2-isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester (0.215 g, 0.42 mmol) was suspended in dry THF (10 mL) and triphenylphosphine (0.22 g, 0.85 mmol) and chloroacetic acid (82 mg, 0.85 mmol) were added. Diethyl azodicarboxylate (0.133 mL, 0.85 mmol) was added dropwise and the mixture was stirred at room temperature for 24 h. The mixture was concentrated and the resultant residue was subjected to flash chromatography (SiO2, gradient 0-10% methanol in DCM). The resultant impure material was dissolved in dry DCM (5 mL) and triphenylphosphine, chloroacetic acid and diethyl azodicarboxylate were added (quantities as above). The mixture was stirred at room temperature for 16 hr, then concentrated in vacuo, the crude product was triturated with ether and the liquor was concentrated. The resultant residue was subjected to flash chromatography (SiO2, gradient 0-5% methanol in DCM) to give impure racemic-cis-3-(2-Chloro-acetoxy)-4-[2-(2-isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester (0.297 g), which was used in the subsequent step without further purification. LCMS RT=4.61, [M+H]+=585/587.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09198918B2
Source datasetuspto-grants-2015_12
ORD IDord-b86f77b701ca4f56b980239d52a07a8a
Source noteuspto-grants-2015_12