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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1476786Generated: October 30, 2026

Trifluoroacetic acid → HCID 71546517, compound

https://huagongshe.com/reaction/1476786

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 71546350HCID 71546350—
SolventChloroformHCID 6212—
ProductHCID 71546517HCID 71546517—

Reaction Steps

Compound 18 (0.080 g, 0.145 mmol) was treated with TFA (0.5 mL) in chloroform (5 mL) for 2 h at room temperature. The solvent was removed on a rotary evaporator and the residue was then basified with 2 N NH3 in methanol to get the free amine, which was purified by silica gel column chromatography, eluting with chloroform-methanol, 8.8:1.2, to yield the product 23 (0.040 g, 62%) as a brown solid: mp 225-227° C. IR (KBr) 3067, 1739, 1673, 1574, 1535, 1511, 1202, 1134, 722 cm−1; 1H NMR (CD3OD, 300 MHz) 8.52 (d, J=2.1 Hz, 1H), 8.29 (d, J=6.8 Hz, 1H), 7.43 (m, 5H), 4.50 (t, J=2.1 Hz, 2H), 3.78 (s, 3H), 3.10 (m, 2H), 2.22 (m, 2H); 13C NMR (CD3OD, 125 MHz) δ 191.6, 169.9, 166.8, 164.9, 155.4, 138.8, 137.9, 135.7, 134.9, 132.2, 129.6, 127.2, 125.0, 124.8, 124.1, 123.9, 118.6, 109.6, 52.9, 42.5, 38.2, 28.6; ESIMS m/z (relative intensity) 420 (MH+, 100); HRESIMS calcd for C23H21N3O5 420.1559 (MH+). found 420.1554 (MH+); HPLC purity: 100% (1% TFA in MeOH—H2O, 50:50).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09402842B2
Source datasetuspto-grants-2016_08
ORD IDord-fd60aff32d33469993bcc7545ee8d568
Source noteuspto-grants-2016_08