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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 75598Generated: October 29, 2026

Acetic Acid → Ammonium Hydroxide

https://huagongshe.com/reaction/75598

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantFormaldehydeHCID 712—
ReactantSodium triacetoxyborohydrideHCID 5049666—
ReactantHCID 86686695HCID 86686695—
SolventDichloromethaneHCID 6344—
ProductAmmonium HydroxideHCID 149230.1%
Product1-[5-tert-Butyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-yl]-3-[(1S,4R)-4-(3-isopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-1,2,3,4-tetrahydro-naphthalen-1-yl]-ureaHCID 71598646—

Reaction Steps

A mixture of Example 16 (half crude material, assume 64.8 mg, 0.114 mmol) and formaldehyde (37% in water, 0.092 mL, 1.14 mmol) in DCM (2 mL) was stirred at RT for 10 min, then AcOH (0.013 mL, 0.227 mmol) and NaBH(OAc)3 (48.1 mg, 0.227 mmol) were added sequentially, and the solution stirred at RT for 3 h. The solution was concentrated in vacuo to ˜0.5 mL volume, applied to an SCX-2 cartridge (2 g) and washed with MeOH (15 mL). The product was eluted with 2M NH3 in MeOH (10 mL); concentration in vacuo left a pale yellow solid (82.6 mg). HPLC (XBridge C18, 30-98% MeCN in H2O, 0.1% NH4OH) gave the title compound as a white solid after freeze-drying (30.8 mg, 46%). LCMS (Method 5): Rt 3.18 min, m/z 585 [MH+]. 1H NMR (400 MHz, d6-DMSO): 1.21 (9H, s), 1.38 (H, d, J 6.8), 1.40 (3H, d, J 6.8), 1.75 (2H, t, J 12.2), 1.91-2.04 (6H, m), 2.07-2.17 (2H, m), 2.18 (3H, s), 2.87 (2H, d, J 10.6), 3.58 (1H, sept, J 6.8), 3.88 (1H, m), 4.88 (1H, m), 5.56 (1H, t, J 4.7), 6.02 (1H, s), 6.89 (1H, d, J 8.6), 7.19 (1H, dd, J 9.8, 2.1), 7.31 (1H, m), 7.36-7.43 (3H, m), 7.70 (1H, d, J 9.8), 8.06 (1H, s), 8.22 (1H, d, J 2.0).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08835431B2
Source datasetuspto-grants-2014_09
ORD IDord-ecfa033410c84a599f9bb528277c35d3
Source noteuspto-grants-2014_09