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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 243529Generated: October 31, 2026

2-[(e)-2-Amino-1-eth-(e)-ylidene-but-2-enylsulfanyl]-5-fluoro-benzoic acid methyl ester → 2-Fluorodibenzo[B,F][1,4]thiazepin-11(10H)-one

https://huagongshe.com/reaction/243529

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-[(e)-2-Amino-1-eth-(e)-ylidene-but-2-enylsulfanyl]-5-fluoro-benzoic acid methyl esterHCID 87260731—
Reactant2-[(e)-2-Amino-1-eth-(e)-ylidene-but-2-enylsulfanyl]-5-fluoro-benzoic acidHCID 87260843—
Product2-Fluorodibenzo[B,F][1,4]thiazepin-11(10H)-oneHCID 58015269—

Reaction Steps

Thus, 2-aminobenzenethiol may be reacted with 2,5-difluoro-benzoic acid methyl ester to form a 2-[(E)-2-amino-1-eth-(E)-ylidene-but-2-enylsulfanyl]-5-fluoro-benzoic acid methyl ester intermediate that can be converted by treatment with alkali to 2-[(E)-2-amino-1-eth-(E)-ylidene-but-2-enylsulfanyl]-5-fluoro-benzoic acid. The benzoic acid can be cyclized to form 2-fluoro-10H-dibenzo[b,f][1,4]thiazepin-11-one, that may be converted to 11-chloro-2-fluoro-dibenzo[b,f][1,4]thiazepine, that may be further reacted with piperazine to form the title compound.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08653257B2
Source datasetuspto-grants-2014_02
ORD IDord-019b7e8dfc9c4dcc8e02e8f144fe4500
Source noteuspto-grants-2014_02