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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 10092Generated: October 26, 2026

Acetic Acid → 7-Butyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene-13-carboxylic acid tert-butyl ester

https://huagongshe.com/reaction/10092

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
Reactant2-(Ethoxymethylene)propanedinitrileHCID 67152—
ReactantDichloromethane methanolHCID 21226129—
Reactant4-Butylamino-5-amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl esterHCID 54200458—
SolventEthanolHCID 702—
Product7-Butyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene-13-carboxylic acid tert-butyl esterHCID 54266823—

Reaction Conditions

Temperature60 °C

Reaction Steps

4-Butylamino-5-amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester (440 mg, 1.27 mmol) was dissolved in ethanol (20 mL) and HOAc (2 mL) and treated with ethoxymethylenemalononitrile (186 mg, 1.52 mmol). The resulting mixture was warmed to 60° C. and stirred 18 hours. The reaction was cooled, concentrated, treated with H2O and saturated aqueous Na2CO3 solution then extracted with ethyl acetate (3×50 mL) and dried (Na2SO4). After filtration and concentration, the residue was chromatographed to provide a yellow oil. (400 mg, 89%). (TLC 5% methanol/CH2Cl2 (NH3) Rf 0.70).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07091372B2
Source datasetuspto-grants-2006_08
ORD IDord-5fd698ef781248f897af3e0a916d0162
Source noteuspto-grants-2006_08