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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1476736Generated: October 30, 2026

Water → HCID 72961919, compound

https://huagongshe.com/reaction/1476736

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantAcetonitrileHCID 6342—
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 68628015HCID 68628015—
ProductHCID 72961919HCID 72961919—

Reaction Steps

The titled compound (60) was prepared according to the procedures described in Step 4 of Example 1, by using 3-[2-(benzylamino-methyl)-1-methyl-1H-bezimidazol-5-yl]-acrylic acid methyl ester as the starting material HPLC: 89.6%; tR=(LC/PDA: Phenomenex Luna C18 2.0×150 mm 5μ column; 0.8 mL/min, gradient 5-65% B over 15.5 min, Solvent A: H2O with 0.1% trifluoroacetic acid; Solvent B: Acetonitrile with 0.1% trifluoroacetic acid; UV 254): 3.68 min. 1H NMR (400 MHz, DMSO-d6) δ 3.78 (3H, s), 4.37 (2H, s), 4.58 (2H, s), 6.48 (1H, d), 7.46 (3H, m), 7.55 (3H, m), 7.64 (2H, t), 7.88 (1H, s), 9.88 (1H, bs), 10.74 (1H, bs). MS (m/z): 337 [MH]+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09402829B2
Source datasetuspto-grants-2016_08
ORD IDord-8ecfde5f704246c39ab2d774fcf2fc8e
Source noteuspto-grants-2016_08