HuagongsheHuagongshe Chemistry Print Report · For research reference only
Water → HCID 66896164, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Water | HCID 962 | — |
| Reactant | HCID 69015342 | HCID 69015342 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Solvent | Sodium Hydroxide | HCID 14798 | — |
| Product | HCID 66896164 | HCID 66896164 | 48% |
Reaction Steps
A solution of methyl 6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaene-11-carboxylate trifluoroacetate (45 mg, 90.9 μmol) in acetonitrile (5 mL) and 2.0 M of sodium hydroxide in water (227 μL, 0.455 mmol) were stirred at 25° C. overnight. Purification by preparative LCMS gave the desired product as a white solid (16 mg, 48%). LCMS for C19H16ClN4O2 (M+H)+: m/z=367.1. 1H NMR (400 MHz, DMSO-d6): δ 9.33 (s, 1H), 9.28 (s, 1H), 8.12 (s, 1H), 8.01 (m, 1H), 7.86 (m, 1H), 7.71 (m, 1H), 7.58 (m, 1H), 7.11 (t, 1H), 6.91 (m, 1H), 6.82 (m, 1H), 2.93 (m, 2H), 2.87 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871753B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-c0fab17aae8240cd91bbaa132a7b2963 |
| Source note | uspto-grants-2014_10 |