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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 541643Generated: November 1, 2026

Isopropyl isocyanate → HCID 86636163, compound

https://huagongshe.com/reaction/541643

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsopropyl isocyanateHCID 61277—
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 86636163HCID 8663616358%

Reaction Steps

The desired compound was prepared according to the procedure of Example A9, step H 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 2-isocyanatopropane as starting materials in 58% yield. 1H NMR (300 MHz, DMSO-d6): δ 10.08 (s, 1H), 9.40 (m, 2H), 9.05 (s, 1H), 8.33 (m, 2H), 8.20 (s, 1H), 7.63 (m, 1H), 7.30 (m, 1H), 7.09 (m, 1H), 6.09 (m, 1H), 3.92 (m, 2H), 3.75 (m, 1H), 2.97 (s, 4H), 2.62 (m, 2H), 2.28 (m, 2H), 1.91 (m, 1H), 1.64 (m, 2H), 1.09 (m, 2H), 1.00 (d, 6H). LCMS for C28H34ClN8O2 (M+H)+: m/z=549.2.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08871753B2
Source datasetuspto-grants-2014_10
ORD IDord-89300c6368584a09b988ee5986bc4bb9
Source noteuspto-grants-2014_10