HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1836753Generated: November 2, 2026
Sodium methanethiolate → Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)-
https://huagongshe.com/reaction/1836753
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium methanethiolate | HCID 4378561 | — |
| Reactant | HCID 23679785 | HCID 23679785 | — |
| Solvent | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | Benzoic acid, 2-(methylthio)-4-(trifluoromethyl)- | HCID 11085762 | 100.1% |
Reaction Steps
A mixture of anhydrous sodium thiomethoxide (0.39 g, 0.00525M), 2-chloro-4-trifluoromethylbenzoic acid sodium salt (1.23 g, 0.005M) and anhydrous N-methylpyrrolidinone (10 ml, containing less than 0.01% of water) was heated at 90° C. for 2 hours. The mixture was cooled to 20° C., acidified and extracted (t-butyl methyl ether). The extract was washed (water) and evaporated to give 2-methylthio-4-trifluoromethylbenzoic acid (1.18 g, 100% yield). 1H-nmr 2.40(s,3H). 7.30(1H), 7.38(1H), 8.07(1H). The purity of the product was greater than 95%.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06777575B2 |
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| Source dataset | uspto-grants-2004_08 |
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| ORD ID | ord-1f5f4f049f154d6aa17eaac0578354a1 |
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| Source note | uspto-grants-2004_08 |
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