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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1986382Generated: October 30, 2026

Isobutyric Acid → HCID 57721186, compound

https://huagongshe.com/reaction/1986382

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsobutyric AcidHCID 6590—
ReactantTriethylamineHCID 8471—
Reactant1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 2723939—
Reactant1-Hydroxybenzotriazole hydrateHCID 2796029—
ReactantHCID 68873899HCID 68873899—
SolventDimethylformamideHCID 6228—
ProductHCID 57721186HCID 5772118631%

Reaction Steps

A solution of the product of Step 4 (80 mg, 0.20 mmol) and 2-methylpropanoic acid (18.4 mg, 0.21 mmol) in 2 ml DMF was treated with 1-hydroxybenzotriazole hydrate (HOBT)(29.7 mg, 0.22 mmol). The resulting mixture was stirred for 10 minutes at room temperature before being treated with triethylamine (22 mg, 0.22 mmol) and 1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide hydrochloride (EDC) (42 mg, 0.22 mmol). The reaction was kept at room temperature overnight. Purification of the crude mixture by reverse phase (CH3CN 30%-80% in H2O with 0.1% TFA) afforded 20 mg (31%) oil as title compound. 1H NMR (400 MHz, DMSO-D6) δ ppm 8.89 (s, 1H), 7.68 (d, 2H, 8.8 Hz), 7.38 (d, 2H, 8.8 Hz), 7.32 (t, 1H, 8.0 Hz), 6.85 (d, 1H, 7.6 Hz), 6.79-6.91 (m, 3H), 5.5-6.8 (M, 6H), 2.88 (m, 1H), 1.28 (d, 6H, 6.8 Hz). MS (ES+) m/e 372.2 [M+H]+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07547779B2
Source datasetuspto-grants-2009_06
ORD IDord-c4ea1d5a09c94bd6897e3d802c58d7a2
Source noteuspto-grants-2009_06