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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 59663Generated: October 29, 2026

Trifluoroacetic acid → HCID 118692894, compound

https://huagongshe.com/reaction/59663

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantAcetic acid 2-[4-(4-cyano-2-methanesulfonyl-phenyl)-2,5-dioxo-1-(3-trifluoromethyl-phenyl)-1,4,5,6,7,8-hexahydro-2H-quinazolin-3-yl]-ethyl esterHCID 118692925—
ProductHCID 118692894HCID 118692894—

Reaction Steps

Acetic acid 2-[4-(4-cyano-2-methanesulfonyl-phenyl)-2,5-dioxo-1-(3-trifluoromethyl-phenyl)-1,4,5,6,7,8-hexahydro-2H-quinazolin-3-yl]-ethyl ester (step 1, 60.0 mg, 0.10 mmol) is stirred with trifluoroacetic acid (3.0 mL, 36.94 mmol) at 60° C. for 6 h and concentrated under reduced pressure. The residue is stirred over night with acetonitrile and water (→hydrolysis of trifluoroacetic acid ester) and then purified by reversed phase HPLC (Waters SunFire™-C18, gradient of acetonitrile in water, 0.1% TFA). Yield: 31.3 mg; ESI mass spectrum [M+H]+=534; Retention time HPLC: 0.78 min (005_CA01).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09440930B2
Source datasetuspto-grants-2016_09
ORD IDord-a6f3907009474bb4b4d591d923729a9c
Source noteuspto-grants-2016_09