Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1946136Generated: October 29, 2026

2-Hydroxyisobutyric acid → HCID 59606046, compound

https://huagongshe.com/reaction/1946136

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Hydroxyisobutyric acidHCID 11671—
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant8-Azetidin-3-ylmethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purineHCID 59605281—
SolventDichloromethaneHCID 6344—
ProductHCID 59606046HCID 5960604656.5%

Reaction Steps

To a mixture of 8-azetidin-3-ylmethyl-2-(2-ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purine (60 mg, 0.14 mmol), 2-hydroxyisobutyric acid (17 mg, 0.17 mmol) and DIPEA (29 μL, 0.17 mmol) in DCM (1 mL) was added HATU (63 mg, 0.17 mmol). The resulting yellow mixture was stirred for 1.5 h at r.t. then the reaction mixture was loaded onto an Isolute® SCX-2 cartridge which was washed with DCM and MeOH and the product eluted with 2M NH3/MeOH. The resulting residue was purified by column chromatography (Si—PCC, MeOH:EtOAc, 0-6%) affording 721 as a foam (41 mg, 56%). LCMS (method I): RT 3.00 min, [M+H]+ 519.2. 1H NMR (CDCl3, 400 MHz): δ 8.00-7.97 (1 H, m), 7.75-7.74 (1 H, m), 7.27-7.25 (2 H, m), 4.62 (1 H, s), 4.33 (5 H, s), 4.20 (1 H, s), 3.93 (1 H, s), 3.86 (4 H, t, J=4.72 Hz), 3.76 (3 H, s), 3.64 (1 H, s), 3.34 (3 H, q, J=7.44 Hz), 3.15-3.14 (2 H, m), 1.43-1.42 (9 H, m)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08394796B2
Source datasetuspto-grants-2013_03
ORD IDord-2d4eeee80ba64ae791e376a449468892
Source noteuspto-grants-2013_03