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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 858062Generated: October 30, 2026

4-Toluenesulfonyl chloride → HCID 10099270, compound

https://huagongshe.com/reaction/858062

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-Toluenesulfonyl chlorideHCID 7397—
Reactant3-Cyclopropylmethyl-8-[4-aminobenzyl]-1-(2-fluorobenzyl)-3,7-dihydro-purine-2,6-dioneHCID 21891737—
ProductHCID 10099270HCID 10099270—

Reaction Steps

8-(4-Amino-benzyl)-3-cyclopropylmethyl-1-(2-fluoro-benzyl)-3,7-dihydro-purine-2,6-dione was condensed with 4-toluenesulfonyl chloride under the conditions previously described to give the stated sulfonamide as an off white solid (59%); 1H NMR(DMSO-d6, 300 MHz) δ13.49 (s, 1H), 10.28 (s, 1H), 7.70 (d, J=8.1 Hz, 2H), 7.45–7.25 (m, 7H), 7.21 (d, J=8.4 Hz, 2H), 7.09 (d, J=8.4 Hz, 2H), 5.12 (s, 2H), 4.02 (s, 2H), 4.01 (t, J=7.0 Hz, 2H), 2.39 (s, 3H), 1.75–1.60 (m, 2H), 1.40–1.25 (m, 2H), 0.94 (t, J=7.5 Hz, 3H); EI-HRMS m/e calculated for C30H31N5O4S (M+) 557.2097, found 557.2090.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07148229B2
Source datasetuspto-grants-2006_12
ORD IDord-03b2b29e11024331a5b697e0edea7d05
Source noteuspto-grants-2006_12