HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1047966Generated: October 26, 2026
Ethyl Acetate → 4-(6-Chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid
https://huagongshe.com/reaction/1047966
Participants
| Role | Name | HCID | Charge |
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| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Ethyl 7-(4-(tert-butoxycarbonyl)phenoxy)-6-chlorochroman-4-carboxylate | HCID 67080248 | — |
| Solvent | Hydrochloric Acid | HCID 313 | — |
| Product | 4-(6-Chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid | HCID 58244395 | 102.8% |
Reaction Steps
Ethyl 7-(4-(tert-butoxycarbonyl)phenoxy)-6-chlorochroman-4-carboxylate (221 g, 0.511 mol) was dissolved in hydrogen chloride in ethyl acetate (2.4 N, 1.6 L, 3.84 mol) and the resulting solution was stirred at ambient temperature for 16 hours. The solution was concentrated to give 198 g of crude 4-(6-chloro-4-(ethoxycarbonyl)chroman-7-yloxy)-benzoic acid. The crude product was recrystallized by dissolving in hot isopropyl acetate (0.5 L) and diluting with hexanes (1.1 L). After 48 hours, the crystals were collected and wash with hexanes. The resulting white solids were dried under high vacuum to give 4-(6-chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid (169 g, 88% yield). 1H NMR (400 MHz, CDCl3) δ 8.08 (d, J=8.9 Hz, 2H), 7.38 (s, 1H), 6.98 (d, J=8.8 Hz, 2H), 6.60 (s, 1H), 4.21-4.31 (m, 4H), 3.75 (t, J=5.4 Hz, 1H), 2.31-2.37 (m, 1H), 2.08-2.15 (m, 1H), 1.32 (t, J=7.0 Hz, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08569522B2 |
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| Source dataset | uspto-grants-2013_10 |
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| ORD ID | ord-642837f19ce74d86a50cba43c04523e7 |
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| Source note | uspto-grants-2013_10 |
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