Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2202018Generated: October 29, 2026

p-Acetamidobenzoic acid → HCID 76903447, compound

https://huagongshe.com/reaction/2202018

Reaction equation

Participants

RoleNameHCIDCharge
Reactantp-Acetamidobenzoic acidHCID 19266—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant1-amino-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-olHCID 16790720—
SolventWaterHCID 962—
SolventDichloromethaneHCID 6344—
ProductHCID 76903447HCID 7690344724%

Reaction Conditions

Temperature22 °C

Reaction Steps

A solution of 4-acetamidobenzoic acid (100 mg, 0.56 mmol), HATU (234 mg, 0.62 mmol) and TEA (63 mg, 0.62 mmol) in DCM (10 mL) was stirred at 22° C. for 10 min. 1-amino-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol (116 mg, 0.56 mmol) was then added and the solution was stirred at 22° C. for another 3 h. The reaction mixture was then diluted with water and extracted with DCM. The organic layers were combined and dried over anhydrous Na2SO4, filtered and concentrated and the residue was purified by prep-HPLC to give the title compound (48.5 mg, Yield 24%). 1H NMR (CD3OD, 400 MHz): δ 7.77-7.72 (m, 2H), 7.63-7.57 (m, 2H), 7.17-7.08 (m, 3H), 7.04 (d, J=7.0 Hz, 1H), 4.12 (t, J=6.0 Hz, 1H), 3.75 (s, 2H), 3.58-3.46 (m, 2H), 2.92-2.85 (m, 4H), 2.74-2.63 (m, 2H), 2.16 (s, 3H). LCMS (m/z): 368.1 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09365519B2
Source datasetuspto-grants-2016_06
ORD IDord-bdff3bb6e6af48dcaafebaffa166c87b
Source noteuspto-grants-2016_06