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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 541775Generated: October 26, 2026

Isoxazole-5-carbonyl chloride → N-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]isoxazole-5-carboxamide Trifluoroacetate

https://huagongshe.com/reaction/541775

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsoxazole-5-carbonyl chlorideHCID 2736707—
Reactant6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-amine bis(trifluoroacetate)HCID 86636255—
ProductN-[6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-yl]isoxazole-5-carboxamide TrifluoroacetateHCID 6901690245%

Reaction Steps

The desired compound was prepared according to the procedure of Example B26, using 6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-11-amine bis(trifluoroacetate) and isoxazole-5-carbonyl chloride as the starting materials in 45% yield. LCMS for C22H18ClN6O2(M+H)+: m/z=433.1. 1H NMR (400 MHz, DMSO-d6): δ 10.65 (s, 1H), 9.52 (s, 1H), 9.49 (s, 1H), 8.75 (d, 1H), 8.12 (s, 1H), 7.84 (m, 1H), 7.56 (m, 1H), 7.48 (m, 1H), 7.27 (m, 1H), 7.20 (d, 1H), 7.06 (dd, 1H), 6.85 (m, 1H), 6.82 (m, 1H), 2.84 (m, 4H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08871753B2
Source datasetuspto-grants-2014_10
ORD IDord-7dc2da9b985a4611ae53f55a9f9949a7
Source noteuspto-grants-2014_10