HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1694409Generated: October 27, 2026
Isobutylamine → 3-(3-Fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-3-hydroxy-cyclobutanecarboxylic acid isobutyl-amide
https://huagongshe.com/reaction/1694409
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isobutylamine | HCID 6558 | — |
| Reactant | Propylphosphonic anhydride | HCID 111923 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | 3-(3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)-3-hydroxycyclobutanecarboxylic acid | HCID 67278712 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 3-(3-Fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-3-hydroxy-cyclobutanecarboxylic acid isobutyl-amide | HCID 56648229 | 63% |
Reaction Steps
A THF solution of crude ˜0.12M intermediate 15, 3-(3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)-3-hydroxycyclobutanecarboxylic acid (160 mL, 19.3 mmol) was combined with isobutylamine (3.8 mL, 38.2 mmol) and T3P (50% wt in EtOAc, 13.8 mL, 23.2 mmol) and stirred at room temperature for 20 h. The mixture was made basic with saturated aqueous NaHCO3 and EtOAc (50 mL) was added. The phases were separated and the aqueous phase was extracted again with EtOAc. The combined organics were washed with brine, dried over MgSO4 and concentrated to yield an orange oil. Flash chromatography on a 2″×4″ silica gel column flushing first with EtOAc (1 L) and 10% MeOH/EtOAc (500 mL) to remove higher Rf impurities followed by elution with an additional 500 mL of 10% MeOH/EtOAc and 500 mL 20% MeOH/EtOAc afforded 4.22 g (63%) of the title compound as an waxy, orange solid: Rf=0.3 (30% MeOH/EtOAc); 1H NMR (CDCl3) δ 7.34 (t, J=7.9 Hz, 1H), 7.20-7.13 (m, 2H), 5.84 (br s, 1H), 3.66 (d, JH-F=1.3 Hz, 2H), 3.11 (t, J=6.4 Hz, 2H), 2.84-2.76 (m, 3H), 2.55-2.45 (m, 6H), 1.81-1.72 (m, 4H), 0.91-0.87 (d @ 0.90 (J=6.6 Hz, 6H) overlapping m (1H)); LRMS m/z Calcd for C20H29FN2O2, 348.5, found, 349.4 (M+H) APCI.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08158673B2 |
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| Source dataset | uspto-grants-2012_04 |
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| ORD ID | ord-1b386b5ff84942d6841991ba17492f4b |
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| Source note | uspto-grants-2012_04 |
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