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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1186222Generated: November 2, 2026

Acetic Acid → HCID 54670022, compound

https://huagongshe.com/reaction/1186222

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
Reactant4-BromobenzaldehydeHCID 70741—
ReactantSodium triacetoxyborohydrideHCID 5049666—
ReactantHCID 67001448HCID 67001448—
CatalystHydrochloric AcidHCID 313—
SolventTetrahydrofuranHCID 8028—
ProductHCID 54670022HCID 54670022—

Reaction Steps

Sodium triacetoxyborohydride (200 mg, 0.944 mmol) was added to an ice-cooled solution of 4-bromobenzaldehyde (122 mg, 0.659 mmol) and the product of Example 22F (63 mg, 0.290 mmol) in tetrahydrofuran (5 mL). A few drops of 10% HCl (aq) were added, and the mixture was allowed to warm to room temperature. After 5 hours, acetic acid (2 mL) and additional sodium triacetoxyborohydride (200 mg, 0.944 mmol) were added, and the mixture was stirred an additional 15 hours. The reaction mixture was concentrated under vacuum, and the residue was purified by flash chromatography (SiO2, eluted with CH2Cl2, then CH2Cl2-methanol-15 M NH4OH, 95:5:0.5-90:10:1) to provide the title compound: 1H NMR (300 MHz, CD3OD) δ ppm 1.62 (tt, J=15.3, 5.3, 2.6 Hz, 1H), 1.84-2.00 (m, 1H), 2.33 (t, J=10.9 Hz, 1H), 2.42-2.51 (m, 1H), 2.43 (s, 3H), 2.77 (dt, J=10.7, 2.0 Hz, 1H), 2.85 (ddd, J=11.1, 5.2, 3.6 Hz, 1H), 2.89-3.04 (m, 2H), 3.13 (dt, J=11.9, 2.8 Hz, 1H), 3.30 (s, 1H), 3.45 (td, J=11.3, 2.8 Hz, 1H), 4.22 (d, J=15.1 Hz, 1H), 4.46 (d, J=15.1 Hz, 1H), 6.77-6.96 (m, 4H), 7.27 (d, J=8.3 Hz, 2H), 7.44 (d, J=8.3 Hz, 2H); MS (DCI) m/z 386/388 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08673896B2
Source datasetuspto-grants-2014_03
ORD IDord-3c8d1cd0acf04c36aa645212169dcd3c
Source noteuspto-grants-2014_03