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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 541656Generated: November 1, 2026

Isoxazole-5-carbonyl chloride → HCID 86636176, compound

https://huagongshe.com/reaction/541656

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsoxazole-5-carbonyl chlorideHCID 2736707—
ReactantN-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide tris(trifluoroacetate)HCID 86636131—
ProductHCID 86636176HCID 8663617659%

Reaction Steps

The desired compound was prepared according to the procedure of Example A20, using N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide tris(trifluoroacetate) and isoxazole-5-carbonyl chloride as starting materials in 59% yield. 1H NMR (300 MHz, DMSO-d6): δ 9.50 (d, 2H), 9.16 (s, 1H), 8.83 (s, 1H), 8.40 (s, 2H), 8.33 (s, 1H), 7.78 (s, 1H), 7.40 (d, 1H), 7.19 (d, 1H), 7.00 (s, 1H), 4.52 (m, 1H), 3.88 (m, 1H), 3.32 (m, 1H), 3.03 (s, 4H), 2.42 (m, 2H), 2.21 (m, 1H), 1.93 (m, 2H), 1.39 (m, 2H). LCMS for C28H28ClN8O3 (M+H)+: m/z=559.2.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08871753B2
Source datasetuspto-grants-2014_10
ORD IDord-ff468ecd418f4beaa5764b325e195fdb
Source noteuspto-grants-2014_10