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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 853986Generated: October 30, 2026

Dimethylcarbamoyl Chloride → HCID 10324048, compound

https://huagongshe.com/reaction/853986

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethylcarbamoyl ChlorideHCID 6598—
ReactantHCID 68689720HCID 68689720—
ProductHCID 10324048HCID 1032404870%

Reaction Conditions

Temperature100 °C

Reaction Steps

To (1S)-7-amino-4-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethyl]-2,3-dihydro-isoindol-1-one (800 mg, 1.82 mmol) was added dimethylcarbamyl chloride (3 ml). The mixture was heated at 100° C. for 20 hrs. The reaction mixture was cooled to room temperature and extracted with water (50 ml) and EtOAc (50 ml). The organic layer was washed with water (50 ml), brine (25 ml), dried over Na2SO4 and concentrated. The resulted oil was purified by chromatography to give (1S)-3-{7-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethyl]-3-oxo-2,3-dihydro-1H-isoindol-4-yl}-1,1-dimethyl-urea as a white solid (600 mg, 70% yield): mp, 205-207° C.; 1H NMR (CDCl3) δ 1.47 (t, J=7.0 Hz, 3H, OCH2CH3), 2.94 (s, 3H, CH3), 3.11 (s, 6H, N(CH3)2), 3.72 (dd, J=5, 15 Hz, 1H, CHHSO2), 3.88 (s, 3H, CH3), 4.05-4.22 (m, 4H, CHHSO2+CHHN+OCH2CH3), 4.40 (d, J=10 Hz, 1H, CHHN), 5.73-5.79 (m, 1H, NCH), 6.86-6.96 (m, 3H, Ar), 7.36 (d, J=9 Hz, 1H, Ar), 8.35 (d, J=9 Hz, 1H, Ar), 9.77 (s, 1H, NHCO); 13C NMR (CDCl3) δ 14.68, 36.27, 41.51, 46.96, 51.47, 55.73, 55.97, 64.64, 111.64, 111.67, 112.28, 118.20, 118.54, 119.31, 120.08, 129.13, 133.24, 138.58, 138.77, 148.94, 149.88, 155.01, 169.72. Anal Calcd for C23H28ClN3O6S: C, 54.32; H, 5.65; N, 8.12. Found: C, 54.16; H, 5.42; N, 7.82.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07256210B2
Source datasetuspto-grants-2007_08
ORD IDord-54ff2c2998f14f728e5dadcdc5676ef6
Source noteuspto-grants-2007_08