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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1171795Generated: November 2, 2026

Benzoyl isothiocyanate → 1-[(4,5-Dimethyl-1H-benzimidazol-2-yl)methyl]-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one

https://huagongshe.com/reaction/1171795

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzoyl isothiocyanateHCID 68284—
ReactantEthyl 3-{[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]amino}-1H-pyrrole-2-carboxylateHCID 67068491—
SolventDichloromethaneHCID 6344—
Product1-[(4,5-Dimethyl-1H-benzimidazol-2-yl)methyl]-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-oneHCID 1157339318%

Reaction Steps

Ethyl 3-{[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]amino}-1H-pyrrole-2-carboxylate (0.043 g, 0.14 mmol) was dissolved in CH2Cl2 (1.5 mL) and benzoyl isothiocyanate (0.026 g, 0.16 mmol) was added. After stirring at r.t. for 1 h the solvent was removed in vacuo. The residue was dissolved in ammonia (7N in methanol) and heated to 70° C. for 2 h in a sealed vessel. The solvent was removed in vacuo and the residue was purified by preparative HPLC, obtaining a white solid, 0.008 g (18%) of the title compound, as a tautomeric mixture (1:1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07829707B2
Source datasetuspto-grants-2010_11
ORD IDord-9c80080d20784586aac466001ea08ae6
Source noteuspto-grants-2010_11