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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2172889Generated: October 30, 2026

Dimethyl Sulfone → 2-Amino-5-chloro-3H-pyrimido[4,5-B]indol-4(9H)-one

https://huagongshe.com/reaction/2172889

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethyl SulfoneHCID 6213—
ReactantChloroformamidinium chlorideHCID 3084509—
ReactantAzane;hydrateHCID 12896473—
ReactantEthyl 2-amino-4-chloro-1H-indole-3-carboxylateHCID 45103996—
SolventWaterHCID 962—
SolventChloroformHCID 6212—
Product2-Amino-5-chloro-3H-pyrimido[4,5-B]indol-4(9H)-oneHCID 13574188678%

Reaction Conditions

Temperature115 °C

Reaction Steps

Methyl sulfone (1 g) was heated to melting. Compound 7 (106.22 mg, 1.37 mmol) was added and the resulting mixture was stirred and heated at 110-120° C. to dissolve completely. 5 (200 mg, 0.837 mmol) was added in one part to the reaction mixture. Stirring was continued for 30 minutes. About 10 mL water was added to quench the reaction. Ammonia water was added to neutralize the reaction mixture. Solid precipitated out. This solid was filtered. Obtained solid was dissolved in chloroform and methanol, dried (using Na2SO4) and recrystallized. The overall yield was 78%. TLC Rf 0.33 (chloroform-methanol 1:1); mp>250° C.; 1H NMR (DMSO-d6) δ 6.57 (bs, 2H, 2-NH2, exch); 7.04-7.17 (m, 3H, phenyl); 10.41 (s, 1H, 9-NH, exch); 11.64 (s, 1H, 3-NH, exch). Anal. Calculated (C10H7ClN4O. 0.3CH3OH): C, 50.65; H, 3.38; N, 22.94; Cl, 14.52. Found: C, 50.91; H, 3.34; N, 22.60; Cl, 14.77.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09056869B2
Source datasetuspto-grants-2015_06
ORD IDord-b9c2ee37f7dc42a8b82d44108ce0fe7b
Source noteuspto-grants-2015_06