HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 578964Generated: October 25, 2026
1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 178456039, compound
https://huagongshe.com/reaction/578964
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide | HCID 15908 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | (R)-sec-butylamine | HCID 2724537 | — |
| Reactant | 1-Hydroxybenzotriazole hydrate | HCID 2796029 | — |
| Reactant | HCID 178426451 | HCID 178426451 | — |
| Solvent | Dimethylacetamide | HCID 31374 | — |
| Product | HCID 178456039 | HCID 178456039 | — |
Reaction Steps
Combined (R)-butan-2-amine (22.8 mg, 0.312 mmol) and a solution consisting of 6-(4-(4-cyano-2-methylphenyl)-5-hydroxy-1H-pyrazol-1-yl)nicotinic acid (50 mg, 0.156 mmol), HOBT hydrate (35.9 mg, 0.234 mmol), EDCI (44.9 mg, 0.234 mmol), and Hunig's base (0.103 mL, 0.624 mmol) in DMA (1 mL) and stirred at 50° C. for 4 h. The reaction mixture was then purified via preparative HPLC to give the title compound as a yellow solid. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.90 (t, J=7.45 Hz, 3 H) 1.17 (d, J=6.57 Hz, 3 H) 1.44-1.63 (m, 2 H) 2.44 (s, 3 H) 3.95 (dt, J=14.02, 7.14 Hz, 1 H) 7.57-7.90 (m, 3 H) 7.92-8.73 (m, 4 H) 8.82-8.97 (m, 1 H) 13.20 (br. s., 1 H). MS m/z [M+H]+ 376.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09040522B2 |
|---|
| Source dataset | uspto-grants-2015_05 |
|---|
| ORD ID | ord-a54107fffd9d4c388456d4212d9d5bbb |
|---|
| Source note | uspto-grants-2015_05 |
|---|