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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2229902Generated: October 29, 2026

Acetic Acid → HCID 10759690, compound

https://huagongshe.com/reaction/2229902

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantWaterHCID 962—
ReactantSodium borohydrideHCID 4311764—
ReactantHCID 10712152HCID 10712152—
SolventMeOH tetrahydrofuranHCID 21899815—
ProductHCID 10759690HCID 1075969088%

Reaction Steps

Following the procedure for a β-unsubstituted pyrrole (Strachan, J. P. et al., J. Org. Chem. 2000, 65, 3160-3172), a sample of 18 (1.36 g, 4.00 mmol) was dissolved in anhydrous THF/MeOH (40 mL, 9:1) under argon at 0° C. NaBH4 (605 mg, 16.00 mmol) was added in portions and stirring was continued for 1 h at 0° C. Then the mixture was stirred for 2 h at room temperature. The reaction mixture was neutralized with acetic acid (pH=7), then water (50 mL) was added and the mixture was extracted with ethyl acetate. The combined organic layers were washed with water, brine, dried (Na2SO4), concentrated, and purified by passage through a short column [silica, hexanes/ethyl acetate (3:1)] to give a pale white solid (1.2 g, 88%): mp 88-89° C.; 1H NMR δ 3.41 (t, J=6.6 Hz, 2H), 4.52 (t, J=6.6 Hz, 2H), 6.26 (s, 1H), 6.74 (s, 1H), 7.07 (d, J=8.1 Hz, 2H), 7.69 (d, J=8.1 Hz, 2H), 8.33 (br, 1H); 13C NMR δ 24.0, 75.0, 91.1, 109.3, 117.8, 122.1, 122.2, 129.8, 135.7, 137.7; FAB-MS obsd 341.9877, calcd 341.9865; Anal. Calcd for C12H11IN2O2: C, 42.1; H, 3.2; N, 8.2. Found: C, 42.3; H, 3.3; N, 8.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06420648B1
Source datasetuspto-grants-2002_07
ORD IDord-6e66ebc9b5f94acd8890e11044156611
Source noteuspto-grants-2002_07