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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 893697Generated: October 29, 2026

Benzoic acid, 2-isothiocyanato-, methyl ester → 3-[2-[4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl]ethyl]-1,2-dihydro-2-thioxo-4(3H)-quinazolinone

https://huagongshe.com/reaction/893697

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzoic acid, 2-isothiocyanato-, methyl esterHCID 85243—
ReactantN-[1-(2-aminoethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amineHCID 12891741—
SolventTetrahydrofuranHCID 8028—
Product3-[2-[4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl]ethyl]-1,2-dihydro-2-thioxo-4(3H)-quinazolinoneHCID 13983119—

Reaction Steps

To a stirred solution of 10.9 parts of N-[1-(2-aminoethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amine in 150 parts of tetrahydrofuran was added dropwise a solution of 6 parts of methyl 2-isothiocyanatobenzoate in 30 parts of tetrahydrofuran at room temperature: slightly exothermic reaction, the temperature rose to 30° C. Upon completion, stirring at room temperature was continued for one hour. The reaction mixture was evaporated. The residue was stirred in trichloromethane. The formed precipitate was filtered off and crystallized from 2-propanone. The product was filtered off and dried, yielding 5.2 parts of 3-[2-[4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl]ethyl]-1,2-dihydro-2-thioxo-4(3H)-quinazolinone; mp. 198.5° C. (compound 131).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05126339
Source datasetuspto-grants-1992_06
ORD IDord-2a4d01f8a23e4bf5b540a7a965810329
Source noteuspto-grants-1992_06