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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1689754Generated: October 30, 2026

Ethyl 4-methylpent-2-ynoate → 1H-1,2,3-Triazole-5-carboxylic acid, 1-(2,6-dichlorophenyl)-4-(1-methylethyl)-, ethyl ester

https://huagongshe.com/reaction/1689754

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl 4-methylpent-2-ynoateHCID 11400823—
Reactant2-Azido-1,3-dichloro-benzeneHCID 11600808—
SolventTolueneHCID 1140—
Product1H-1,2,3-Triazole-5-carboxylic acid, 1-(2,6-dichlorophenyl)-4-(1-methylethyl)-, ethyl esterHCID 66704059—

Reaction Steps

A solution of 2-azido-1,3-dichloro-benzene (1.0 g) and 4-methyl-pent-2-ynoic acid ethyl ester (1.8 g) in toluene (5 mL) is heated to 120° C. overnight. Two regioisomers are observed in a range of 1:1 to 3:1 in favor of the desired product. The reaction is concentrated under reduced pressure and the residue is purified by flash chromatography, eluting with 5% ethyl acetate in hexanes. 1H NMR (400 MHz, CDCl3) δ 7.48 (d, 2H), 7.42 (t, 1H), 4.22 (q, 2H), 3.64 (m, 1H), 1.46 (d, 6H), 1.15 (t, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08153624B2
Source datasetuspto-grants-2012_04
ORD IDord-636328f1ca3d4dadb798928611d4d67e
Source noteuspto-grants-2012_04