Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 536110Generated: October 29, 2026

Acetic Acid → HCID 67068492, compound

https://huagongshe.com/reaction/536110

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantIsobutyraldehydeHCID 6561—
ReactantSodium HydroxideHCID 14798—
ReactantSodium cyanoborohydrideHCID 5003444—
ReactantEthyl 3-amino-4-bromo-1H-pyrrole-2-carboxylateHCID 67068498—
SolventDichloromethane methanolHCID 21226129—
ProductHCID 67068492HCID 6706849224%

Reaction Steps

3-Amino-4-bromo-1H-pyrrole-2-carboxylic acid ethyl ester (0.136 g, 0.58 mmol) and isobutyraldehyde (0.067 g, 0.93 mmol) were stirred in CH2Cl2/MeOH (1:1, 3 mL) at r.t. for 2 h. NaCNBH3 (0.065 g, 1.04 mmol) and HOAc (0.035 g, 0.58 mmol) were added and the mixture was stirred at r.t. for 2 h and then stirred at 50° C. for 16 h. Additional isobutyraldehyde (1 equiv.) and NaCNBH3 (0.5 equiv.) were added and the mixture was continued stirring at 50° C. overnight. The reaction mixture was neutralized with 2 M NaOH solution and the solvents were removed in vacuo. The residue was taken up in ethyl acetate and extracted with water. The organic layer was dried (Na2SO4) and concentrated. The crude product was purified by flash chromatography (heptane/ethyl acetate gradient, 0 to 30% ethyl acetate), obtaining the title compound (0.040 g, 24%) as a white solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08859568B2
Source datasetuspto-grants-2014_10
ORD IDord-2d9b3c421cbe44938460dbd1e202c417
Source noteuspto-grants-2014_10