HuagongsheHuagongshe Chemistry Print Report · For research reference only
Water → HCID 72961919, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | HCID 68628015 | HCID 68628015 | — |
| Product | HCID 72961919 | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09402829B2 |
| Source dataset | uspto-grants-2016_08 |
| ORD ID | ord-8ecfde5f704246c39ab2d774fcf2fc8e |
| Source note | uspto-grants-2016_08 |