HuagongsheHuagongshe Chemistry Print Report · For research reference only
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
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-[(e)-2-Amino-1-eth-(e)-ylidene-but-2-enylsulfanyl]-5-fluoro-benzoic acid methyl ester | HCID 87260731 | — |
| Reactant | 2-[(e)-2-Amino-1-eth-(e)-ylidene-but-2-enylsulfanyl]-5-fluoro-benzoic acid | HCID 87260843 | — |
| Product | 2-Fluorodibenzo[B,F][1,4]thiazepin-11(10H)-one | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08653257B2 |
| Source dataset | uspto-grants-2014_02 |
| ORD ID | ord-019b7e8dfc9c4dcc8e02e8f144fe4500 |
| Source note | uspto-grants-2014_02 |