Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 536942Generated: November 1, 2026

Citric Acid → HCID 178510422, compound

https://huagongshe.com/reaction/536942

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCitric AcidHCID 311—
ReactantTriethylamineHCID 8471—
ReactantEthyl chloroformateHCID 10928—
ReactantSodium borohydrideHCID 4311764—
ReactantHCID 178510424HCID 178510424—
SolventTetrahydrofuranHCID 8028—
SolventEthyl AcetateHCID 8857—
ProductHCID 178510422HCID 17851042272.4%

Reaction Steps

To a mixture of 4-{4-[(4-cyano-1H-imidazole-2-carbonyl)-amino]-3-cyclohex-1-enyl-phenyl}-tetrahydro-pyran-4-carboxylic acid (as prepared in Example 18, step (d), 20.0 mg, 0.0476 mmol) and triethylamine (Et3N) (7.3 μL, 0.052 mmol) in 1 mL of THF at 0° C. was added ClCO2Et (3.6 mg, 0.038 mmol). The mixture was stirred at RT for 0.5 h and NaBH4 (5.4 mg, 0.14 mmol) was added. After stirring at RT for 16 h, the mixture was treated with 30 mL of EtOAc and 10 ml of 10% citric acid. The aqueous layer was separated and extracted with EtOAc (10 mL). The combined organic layers were washed with saturated NaHCO3 aqueous solution (10 mL), H2O (10 mL) and brine (10 mL). After drying over Na2SO4 and concentrating in vacuo, the residue was purified by silica gel chromatography (1-2% MeOH/DCM) to afford the title compound (14 mg, 70%) as a white solid. 1H-NMR (1:5 CD3OD/CDCl3; 400 MHz): δ 8.24 (d, 1H, J=8.6 Hz), 7.72 (s, 1H), 7.26 (dd, 1H, J=8.6, 2.3 Hz), 7.14 (d, 1H, J=2.3 Hz), 5.84 (m, 1H), 3.82 (m, 2H), 3.57 (s, 2H), 3.54-3.60 (m, 2H), 2.27 (m, 4H), 2.14 (m, 2H), 1.95 (m, 2H), 1.82 (m, 4H). Mass spectrum (ESI, m/z): Calcd. for C23H26N4O3, 407.2 (M+H). found 407.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08859602B2
Source datasetuspto-grants-2014_10
ORD IDord-03b414d48ef9425cb9627a0d503fe6dd
Source noteuspto-grants-2014_10