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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 251213Generated: October 29, 2026

Trimethylsilyl isocyanate → HCID 58996953, compound

https://huagongshe.com/reaction/251213

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrimethylsilyl isocyanateHCID 70696—
ReactantHCID 51346842HCID 51346842—
SolventIsopropanolHCID 3776—
ProductHCID 58996953HCID 5899695329.7%

Reaction Steps

To a solution of (S)-N1-(3,5-Dimethyl-pyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydro-quinolin-8-yl)-butane-1,4-diamine (103 mg, 0.30 mmol) in 2-propanol (1.5 mL) was added trimethylsilyl-isocyanate (50 μL, 0.378 mmol). The resultant solution was stirred at room temperature overnight then concentrated. Purification of the crude material by radial chromatography on silica gel (1 mm plate, 25:1:1 CH2Cl2-MeOH—NH4OH) provided 34 mg (29%) of the free base of the title compound as a white foam. Using General Procedure D: Conversion of the white foam to the HBr salt gave COMPOUND 367 (47 mg, 81%) as a white solid. 1H NMR (D2O) δ 1.15-1.29 (m, 4H), 1.75-1.91 (m, 1H), 2.06-2.22 (m, 2H), 2.41-2.50 (m, 8H), 2.66-2.74 (m, 1H), 2.90-3.03 (m, 4H), 4.19 (d, 1H, J=17.7 Hz), 4.38 (d, 1H, J=17.7 Hz), 4.50 (dd, 1H, J=10.5, 5.1 Hz), 7.88 (dd, 1H, J=7.8, 6.0 Hz), 8.23 (s, 1H), 8.36 (d, 1H, J=7.8 Hz), 8.46 (s, 1H), 8.62 (d, 1H, J=5.1 Hz); 13C NMR (D2O) δ 16.97, 17.51, 20.49, 20.62, 25.43, 27.23, 27.83, 39.41, 52.08, 52.46, 61.55, 125.80, 136.35, 137.32, 137.59, 139.28, 140.55, 148.02, 149.13, 151.35; ES-MS m/z 382 (M+H). Anal. Calcd. For C22H31N5O.3.0HBr.1.8H2O: C, 40.24; H, 5.77; N, 10.66; Br, 36.50. Found: C, 40.22; H, 5.63; N, 10.62; Br, 36.50.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07863293B2
Source datasetuspto-grants-2011_01
ORD IDord-7988e42eb6794c6c844e8afce92cf9bb
Source noteuspto-grants-2011_01