HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 601324Generated: October 31, 2026
Hydrochloric Acid → HCID 136347347, compound
https://huagongshe.com/reaction/601324
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1,8-Diazabicyclo(5.4.0)undec-7-ene | HCID 81184 | — |
| Reactant | 3-Pyridinecarbonyl chloride, hydrochloride (1:1) | HCID 88438 | — |
| Reactant | HCID 136347238 | HCID 136347238 | — |
| Catalyst | Dimethylformamide | HCID 6228 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 136347347 | HCID 136347347 | 37.2% |
Reaction Steps
To the solution of the product of Example 345 (0.015 g, 0.032 mmol) in tetrahydrofuran (0.4 mL) was added triethylamine (0.022 mL, 0.160 mmol), and 1,8-diazabicyclo[5.4.0]undec-7-ene (0.020 mL, 0.129 mmol). The mixture was cooled to 0° C. and nicotinoylchloride hydrochloride (0.007 g, 0.035 mmol) was added. The mixture was stirred for 2.5 hours and then warmed to 23° C. and stirred for 2.5 hours. Additional 1,8 diazabicyclo[5.4.0]undec-7-ene (0.010 mL, 0.068 mmol) and nicotinoylchloride hydrochloride (0.006 g, 0.032 mmol) were added and the mixture was stirred at 23° C. for 15 hours. Added additional nicotinoyl chloride hydrochloride (0.006 g, 0.032 mmol) and stirred at 23° C. for 6 hours. A few drops of N,N-dimethylformamide were added to increase solubility. Added additional nicotinoyl chloride hydrochloride (0.006 g, 0.032 mmol) and stirred at 23° C. for 72 hours. Hydrochloric acid (4 M in dioxane) (0.095 mL, 0.370 mmol) was added and the reaction mixture was concentrated under reduced pressure. The resulting solid was then washed with diethyl ether and water. The solid was dissolved in 1% triethylamine/dichloromethane and purified by preparative thin layer chromatography eluting with 5%(5% triethylamine/methanol)/dichloromethane. The silica gel was washed with 10% (5% triethylamine/methanol)/dichloromethane to give the triethylamine salt of the title compound (0.0068 g, 31%). 1HNMR(500 MHz, DMSO-d6) δ 1.17 (t, J=7.32 Hz, 9 H) 3.09 (q, J=7.32 Hz, 6 H) 4.60 (d, J=4.88 Hz, 2 H) 5.44 (bs, 2 H) 7.00 (bs, 1 H) 7.12 (m, 1 H) 7.26 (m, 5 H) 7.46 (m, 1H) 7.53 (dd, J=7.63, 4.58 Hz, 1 H) 8.12 (d, J=7.32 Hz, 1 H) 8.26 (m, J=7.93 Hz, 1 H) 8.72 (d, J=3.66 Hz, 1 H) 8.86 (bs, 1 H) 9.09 (s, 1 H) 9.16 (bs, 1 H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07902203B2 |
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| Source dataset | uspto-grants-2011_03 |
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| ORD ID | ord-9716b1de07334445bf603150080eeba7 |
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| Source note | uspto-grants-2011_03 |
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