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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 331656Generated: October 30, 2026

Phenyl isocyanate → HCID 57730507, compound

https://huagongshe.com/reaction/331656

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPhenyl isocyanateHCID 7672—
ReactantDiisopropylethylamineHCID 81531—
Reactant5-(Aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione hydrochlorideHCID 67019706—
SolventTetrahydrofuranHCID 8028—
ProductHCID 57730507HCID 5773050763.2%

Reaction Conditions

Temperature40 °C

Reaction Steps

To a stirred mixture of 5-aminomethyl-2-(2,6-dioxo-piperidin-3-yl)-isoindole-1,3-dione hydrochloride (0.97 g, 3.00 mmol) and phenylisocyanate (0.36 g, 3.30 mmol) in THF (20 mL), was added DIPEA (1.05 mL, 6.00 mmol) at room temperature under nitrogen. The mixture was heated to 40° C. for 18 h then cooled to rt. The solvent was removed in vacuo and the residue was dissolved in EtOAc (100 mL). The organic layer was washed with dil. aq. HCl (2×150 mL), water (100 mL), dried (MgSO4) and then concentrated. The product was dried in vacuo to give 1-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-ylmethyl]-3-phenyl-urea as a white solid (0.77 g, 63% yield): HPLC: Waters Symmetry C18, 5 μm, 3.9×150 mm, 1 mL/min, 240 nm, 40/60 CH3CN/0.1% H3PO4, 2.38 min (99.57%); mp: 288-290° C.; 1H NMR (DMSO-d6) δ 1.99-2.07 (m, 1H, CHH), 2.44-2.62 (m, 2H, CHH, CHH), 2.82-2.96 (m, 3H, CHH, CH2), 4.47 (d, J=5.9 Hz, 2H, CH2), 5.15 (dd, J=5.3, 12.5 Hz, 1H, CH), 6.82-6.93 (m, 2H, Ar), 7.22 (t, J=7.6 Hz, 2H, Ar), 7.40 (d, J=8.0 Hz, 2H, Ar), 7.78-7.91 (m, 3H, Ar, NH), 8.72 (s, 1H, NH), 11.13 (s, 1H, NH); 13C NMR (DMSO-d6) δ 22.01, 30.93, 42.62, 48.99, 117.83, 121.26, 121.69, 123.48, 128.64, 129.67, 131.60, 133.21, 140.27, 148.79, 155.28, 167.03, 167.20, 169.83, 172.74; LCMS: MH=407; Anal Calcd for C21H18N4O5+0.2H2O: C, 61.52; H, 4.52; N, 13.66. Found: C, 61.33; H, 4.36; N, 13.46.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08877780B2
Source datasetuspto-grants-2014_11
ORD IDord-519e3e4550ff472c8f069fdd0861cd39
Source noteuspto-grants-2014_11