HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 268908Generated: October 30, 2026
Hydrochloric Acid → HCID 53417938, compound
https://huagongshe.com/reaction/268908
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | 1-Bromo-5-methyl-2-nitro-4-(trifluoromethyl)benzene | HCID 53407197 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Solvent | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | HCID 53417938 | HCID 53417938 | 88.1% |
Reaction Steps
A mixture of 1-bromo-5-methyl-2-nitro-4-trifluoromethyl-benzene from step 2 (49.80 g, 175 mmol) and copper(I) cyanide (16.5 g, 184 mmol) in 1-methyl-2-pyrrolidone (NMP) (180 mL) was heated up to 150° C. and stirred for 30 min under nitrogen atmosphere. The mixture was cooled to 23° C. and poured into 1 N HCl, extracted with TBME, washed with brine and dried over Na2SO4. Removal of the solvent in vacuum left a brown oil, which was purified by silica gel column chromatography with heptane/ethyl acetate 4:1→2:1 to give the title compound as a light yellow solid (35.48 g, 88%). MS (EI) 230.1 [M].
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07446113B2 |
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| Source dataset | uspto-grants-2008_11 |
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| ORD ID | ord-a135e70be33c4690ada38b594001848e |
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| Source note | uspto-grants-2008_11 |
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