HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1364634Generated: October 31, 2026
Benzoyl chloride, 2-chloro-4-(methylsulfonyl)- → Vismodegib
https://huagongshe.com/reaction/1364634
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzoyl chloride, 2-chloro-4-(methylsulfonyl)- | HCID 11128804 | — |
| Reactant | 4-Chloro-3-(pyridin-2-yl)aniline | HCID 40151925 | — |
| Product | Vismodegib | HCID 24776445 | — |
Reaction Steps
Procedure D may also be used to couple 4-chloro-3-(pyridin-2-yl)aniline and 2-chloro-4-(methylsulfonyl)benzoyl chloride to produce 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide which is collected by suction filtration and the HCl salt is washed with Et2O (or alternatively with MTBE). This material is freebased using EtOAc/aq NaHCO3 and the organics are dried and concentrated to the solid freebase. This material is then crystallized from acetone:EtOAc (80:20, approx 10 mL/g) which is then finally recrystallized from hot slurry of iPrOAc. 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide HCl salt may also be dissolved in distilled water followed by freebasing with 0.5 N NaOH solution (pH to 11) and filtering and vacuum drying the precipitate.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07888364B2 |
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| Source dataset | uspto-grants-2011_02 |
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| ORD ID | ord-7f2a0b3ac2954881a9bf2065e6418f09 |
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| Source note | uspto-grants-2011_02 |
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