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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1909499Generated: October 31, 2026

Allylbenzene → HCID 67378154, compound

https://huagongshe.com/reaction/1909499

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAllylbenzeneHCID 9309—
ReactantHCID 11159402HCID 11159402—
ProductHCID 67378154HCID 6737815456%

Reaction Steps

Following the general procedure, allyl benzene (50.0 mg, 0.423 mmol, 7) was treated with p-methoxyphenyl vinyl ether (127 mg, 8.46 mmol) and 1.2 mol % of in situ-generated complex la (51.0 μL, 0.10 M, 5.08 μmol; final substrate concentration=8.3 M) and allowed to stir for 16 h. The unpurified product is >98% Z (as determined by 400 MHz 1H NMR analysis). Excess p-methoxyphenyl vinyl ether was removed by vacuum distillation (1.0 torr, 80° C.). The resulting oil was purified by neutral alumina chromatography (100% hexanes to 100:1 hexanes:Et2O) to afford 10a (56.8 mg, 0.236 mmol, 56.0% yield, >98% Z isomer) as a colorless oil. IR (neat): 3027 (w), 3000 (w), 2950 (w), 2908 (w), 2834 (w), 1664 (m), 1502 (s), 1464 (m), 1453 (m), 1441 (m), 1384 (m), 1212 (s), 1179 (m), 1088 (m), 1064 (m), 1034 (m), 989 (m); NMR (400 MHz, CDCl3): δ 7.33-7.25 (4H, m), 7.24-7.18 (1H, m), 7.01-6.95 (2H, m), 6.89-6.84 (2H, m), 6.42 (1H, dt, J=6.0, 1.6 Hz), 4.96 (1H, td, J=7.6, 6.0 Hz), 3.80 (3H, s), 3.58 (2H, dd, J=7.6, 1.2 Hz); 13C NMR (100 MHz, CDCl3): δ 155.4, 151.7, 141.9, 141.2, 128.6, 128.5, 126.0, 117.6, 114.8, 110.6, 55.9, 30.4; HRMS (ESI+) [M+NH4]+ calcd for C16H20NO2. 258.1494, found: 258.1491.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08598400B2
Source datasetuspto-grants-2013_12
ORD IDord-d1cdc2df33b8420bb87803550e7439a2
Source noteuspto-grants-2013_12