2,2,2-trifluoro-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide → HCID 178431066, compound

HRID 1490753Notes

Reaction equation

HRID 1490753 reaction equation
O=C(NCc1ccccc1CO)C(F)(F)F>C1=CCCC=CCC1.C1=CCCC=CCC1.C1CCOC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC[N+](CCCC)(CCCC)CCCC.C[OH2+].C[OH2+].Cc1ccc(-c2ccc(CS(=O)(=O)[O-])cn2)nc1.[Ir].[Ir]>CC1(C)OB(c2ccc(CNC(=O)C(F)(F)F)c(CO)c2)OC1(C)C.CC1(C)OB(c2ccc(CO)c(CNC(=O)C(F)(F)F)c2)OC1(C)C

Participants

7

Conditions

Temperature
50 °C

Procedure

Following general procedure F using 2e (58 mg, 0.25 mmol), B2pin2 (127 mg, 0.50 mmol), [Ir(COD)OMe]2 (2.5 mg, 0.00375 mmol) and 1a (3.8 mg, 0.0075 mmol) in THF (1.25 mL). Stirred in vial at 50 °C for 20 hours. Analysis of crude 1 H NMR using internal standard 1,2‐dimethoxyethane showed 10.2:1 meta:para borylation in 80% yield (19% starting material remaining). The crude product was purified by silica gel chromatography (30% EtOAc in Petroleum Ether 40‐60 o C), however this gave a mixture of the borylated products and starting material, which were inseparable on silica (10.5:1:2.0 mixture of meta:para:starting material ratio, as determined by 1 H NMR), as a white solid (76 mg). As the mixture contained 15% of starting material, the isolated yield was corrected by calculating the mass of the starting material in the mixture. Corrected yield for the borylated products was 68 mg, 0.19 mmol, 76%.

Sources & evidence

ORD record
ord-743eca7abebe49598be8e84cefe080b5
Source dataset
Borylation dataset from Roche

Reaction notes

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