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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1036770Generated: October 30, 2026

Captamine → HCID 59856821, compound

https://huagongshe.com/reaction/1036770

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCaptamineHCID 25799—
ReactantSodium t-butoxideHCID 23676156—
ReactantHCID 67202884HCID 67202884—
SolventDimethyl SulfoxideHCID 679—
ProductHCID 59856821HCID 59856821—

Reaction Conditions

Temperature120 °C

Reaction Steps

In a microwave reaction tube was placed 4-[5-cyano-6-(2-fluoro-4-iodo-phenylamino)-pyrimidin-4-yloxy]-piperidine-1-carboxylic acid isopropyl ester (10 mg, 0.19 mmol), 2-dimethylamino-ethanethiol (27 mg, 0.19 mmol), di-m-bromobis (tri-t-butylphosphino)dipalladium (I) (8 mg, 0.0095 mmol), sodium t-butoxide (55 mg, 0.57 mmol), and DMSO (0.5 mL). The reaction mixture was heated at 120° C. under microwave for 4 hours. The resulting mixture was filtered through a syringe filter and purified by preparative HPLC. 1H NMR (CDCl3, 400 MHz) δ 1.26 (d,6H), 1.86 (m, 2H), 2.00 (m, 2H), 2.86 (s, 6H), 3.20 (m, 2H), 3.30 (m, 2H), 3.43 (m, 2H), 3.78 (m, 2H), 4.94 (m, 1H), 5.44 (m, 1H), 7.22 (s, 1H), 7.24 (s, 1H), 7.35 (s, 1H), 8.11 (t, 1H), 8.45 (s, 1H). Exact mass calculated for C24H31 FN6O3S 502.22, found 503.2 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08546429B2
Source datasetuspto-grants-2013_10
ORD IDord-e6b36afc3cf6486f94340ebd3d9db33f
Source noteuspto-grants-2013_10