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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1790629Generated: November 2, 2026

Allyl-(1-methyl-pent-4-enyl)-carbamic acid benzyl ester → Benzyl 2-methyl-2,3,4,7-tetrahydro-1H-azepine-1-carboxylate

https://huagongshe.com/reaction/1790629

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAllyl-(1-methyl-pent-4-enyl)-carbamic acid benzyl esterHCID 11608774—
CatalystBenzylidene-bis(triphenylphosphine)ruthenium dichlorideHCID 60145889—
SolventDichloromethaneHCID 6344—
ProductBenzyl 2-methyl-2,3,4,7-tetrahydro-1H-azepine-1-carboxylateHCID 1158681292%

Reaction Steps

Allyl-(1-methyl-pent-4-enyl)-carbamic acid benzyl ester (0.872 g, 3.19 mmol) was dissolved in CH2Cl2 (10 ml) and a stream of argon gas was bubbled into the reaction mixture for 10 minutes. Then bis(tricyclohexylphosphine)benzylidine ruthenium(IV) dichloride (Strem Chemicals, Grubbs' catalyst, 19 mg, 0.0227 mmol) was added and the reaction mixture was refluxed for 2 h. Additional bis(tricyclohexylphosphine)benzylidine ruthenium(IV) dichloride ( mg, 0.0108 mmol) was added and the reaction mixture was refluxed for an additional 1.5 hours. The reaction was cooled to RT under argon overnight, then was concentrated in vacuo by rotary evaporation, then was chromatographed (silica gel, 5% EtOAc/hexanes) to give the title compound (0.72 g, 92%): 1H NMR: 7.35–7.20 (m, 5H), 5.65 (1H, m), 5.13 (2H, AB), 4.45–4.05 (m, 2H), 3.56 (1H, d), 2.25–2.10 (m, 2H), 1.90–1.60 (m, 2H), 1.12 (3H, d); Liquid Chromatgraphy/Electrospray mass spec: M+H+=246.2.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07071184B2
Source datasetuspto-grants-2006_07
ORD IDord-69f9e43c13ef4126a58555e898d3ae2e
Source noteuspto-grants-2006_07