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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 633156Generated: October 26, 2026

Methyl 4-(bromomethyl)benzoate → 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoic acid

https://huagongshe.com/reaction/633156

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl 4-(bromomethyl)benzoateHCID 256687—
Reactantmethyl 4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoateHCID 728234—
Reactantmethyl 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzoateHCID 66896432—
Reactantmethyl 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoateHCID 66896739—
ReactantHCID 178481306HCID 178481306—
Product4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoic acidHCID 66895591—
Product4-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzoic acidHCID 66896168—

Reaction Steps

500 mg of methyl 4-(bromomethyl)benzoate was reacted with 4-methyl-4H-1,2,4-triazole-3-thiol via Procedure Q. 804 mg of methyl 4-((4-methyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate was subsequently reacted via Procedure R to give an approximate 1:9 mixture of methyl 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoate and methyl 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzoate. The mixture of 740 mg was hydrolyzed via Procedure M to give 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoic acid and 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzoic acid. 114 mg of the mixture of 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzoic acid and 4-((4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)methyl)benzoic acid was coupled to 75 mg of 4-chloro-3-(pyridin-2-yl)aniline via Procedure G. The mixture was separated on reverse phase HPLC to give N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-((4-methyl-4H-1,2,4-triazol-3-ylsulfinyl)methyl)benzamide. MS (Q1) 452.3 (M)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09321761B2
Source datasetuspto-grants-2016_04
ORD IDord-e3f6db2089174138815a78c11a14df7c
Source noteuspto-grants-2016_04