HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trifluoroacetic acid → HCID 118692894, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | 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 | HCID 118692925 | — |
| Product | HCID 118692894 | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09440930B2 |
| Source dataset | uspto-grants-2016_09 |
| ORD ID | ord-a6f3907009474bb4b4d591d923729a9c |
| Source note | uspto-grants-2016_09 |