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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 629483Generated: November 1, 2026

Phosphorus oxychloride → Isoquinoline, 1-chloro-

https://huagongshe.com/reaction/629483

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPhosphorus oxychlorideHCID 24813—
ReactantHCID 20743620HCID 20743620—
SolventAcetonitrileHCID 6342—
ProductIsoquinoline, 1-chloro-HCID 140539—

Reaction Steps

Methyl ester 104 is coupled with compound 7, which is synthesized as described in Reaction Scheme 1, in the presence of palladium acetate coupling catalyst, tetrabutylammonium fluoride, sodium bicarbonate in dimethyl formamide at 100° C., to produce compound 105. Compound 105 is converted to isopropoxy isoquinoline compound 107 by one of two methods. In the first method, compound 105 is treated with phosphoryl chloride in refluxing acetonitrile to produce the 1-chloro isoquinoline compound 106, which is then reacted with isopropyl alcohol in the presence of sodium hydride base to product compound 107. Alternatively, compound 105 is converted directly to compound 107 by reaction with isopropyl bromide, in dimethylformamide at 80° C., in the presence of potassium tert-butoxide.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09315505B2
Source datasetuspto-grants-2016_04
ORD IDord-5520825b52e94164a114202071c75ae8
Source noteuspto-grants-2016_04