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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 254455Generated: October 30, 2026

Hydrochloric Acid → 9-Benzyloxy-3-hydroxy-4,4,6,8-tetramethyl-5-oxo-7-(2,2,2-trichloroethoxycarbonyloxy)-nonanoic Acid Tert-Butyl Ester

https://huagongshe.com/reaction/254455

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
Reactant9-Benzyloxy-4,4,6,8-tetramethyl-3,5-dioxo-7-(2,2,2-trichloroethoxycarbonyloxy)-nonanoic Acid Tert-Butyl EsterHCID 20817586—
SolventMethanolHCID 887—
Product9-Benzyloxy-3-hydroxy-4,4,6,8-tetramethyl-5-oxo-7-(2,2,2-trichloroethoxycarbonyloxy)-nonanoic Acid Tert-Butyl EsterHCID 2081758580%

Reaction Steps

A bomb liner was charged with (R)-RuBINAP catalyst (16.8 mg, 10.0 μmol). HCl (555 μL, 0.2N in MeOH) was added and the mixture was then sonicated for 15 sec. Then a solution of 69 (59.4 mg, 0.1 mmol) in MeOH (555 μL) was added and the mixture transferred to a Parr apparatus. The vessel was purged with H2 for 5 min and then pressurized to 1200 psi. After 17 h, the reaction was returned to atmospheric pressure and poured into a sat NaHCO3 aq solution. The aqueous layer was extracted three times with EtOAc. The combined organic extracts were dried over MgSO4 and concentrated under reduced pressure. The crude product was purified by flash chromatography (gradient hexane to hexane/EtOAc 88:12) to give 70 (dr>20:1 as judged by 1H NMR analysis) (47.6 mg, 80%) as a clear oil: 1H NMR (400 MHz, CDCl3) δ 1.06 (d, J=6.9 Hz, 3H), 1.11 (d, J=6.8 Hz, 3H), 1.14 (s, 3H), 1.18 (s, 3H), 1.47 (s, 9H), 2.05-2.12 (m, 1H), 2.35-2.40 (m, 1H), 3.31-3.37 (m, 2H), 3.51-3.54 (m, 2H), 4.11-4.14 (m, 1H), 4.46 (s, 2H), 4.72 (d, J=11.9 Hz, 1H), 4.80 (d, J=11.9 Hz, 1H), 5.05 (dd, J=5.0 and 6.7 Hz, 1H), 7.27-7.35 (m, 5H); 13C NMR (100 MHz, CDCl3) δ 12.0, 15.0, 19.3, 21.7, 28.0, 35.6, 37.5, 41.7, 51.8, 71.3, 73.0, 73.3, 80.6, 81.3, 94.7, 127.5, 127.7, 128.3, 138.2, 154.1, 172.4, 216; IR (film, NaCl, cm−1) 3849, 2974, 2879, 1758, 1701, 1454, 1368, 1248, 1152, 926, 734; LRMS (ESI) calcd for C27H39O8Cl3Na [M+Na+] 619.1, found 619.2; [α]23D=−13.0 (c=0.4, CHCl3).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07875638B2
Source datasetuspto-grants-2011_01
ORD IDord-f6047eb71d0948dab072bad5a173ccf6
Source noteuspto-grants-2011_01