HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1427078Generated: October 25, 2026
Diisopropylethylamine → Methyl 4-[(5-bromo-2-fluoro-benzoyl)amino]-3,5-dimethyl-benzoate
https://huagongshe.com/reaction/1427078
Participants
| Role | Name | HCID | Charge |
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| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Propylphosphonic anhydride | HCID 111923 | — |
| Reactant | 5-Bromo-2-fluorobenzoic acid | HCID 2736315 | — |
| Reactant | Benzoic acid, 4-amino-3,5-dimethyl-, methyl ester | HCID 11030398 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | Methyl 4-[(5-bromo-2-fluoro-benzoyl)amino]-3,5-dimethyl-benzoate | HCID 86707311 | 69.5% |
Reaction Steps
To a solution of 5-bromo-2-fluorobenzoic acid (3.50 g, 15.9 mmol) in CH2Cl2 (50 mL) at 0° C. are added methyl 4-amino-3,5-dimethylbenzoate (2.86 g, 15.9 mmol, see preparation 12) and N,N-diisopropylethylamine (8.35 ml, 47.9 mmol). After stirring the reaction mixture for 10 minutes, 1-propanephosphonic acid cyclic anhydride (50% solution in ethyl acetate, 20.5 ml, 31.9 mmol) is added via syringe and stirred at ambient temperature. After 36 hours, the solvent is removed under reduced pressure and the residue is diluted with water and extracted with ethyl acetate. The organic layers are combined and dried over anhydrous Na2SO4, filtered, and concentrated under reduced pressure. The resulting residue is purified by flash chromatography (silica gel) using 10% ethyl acetate in hexane to give the title compound as a white solid (4.20 g, 69%). Mass spectrum (m/z): 380.2 (M+1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08933098B2 |
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| Source dataset | uspto-grants-2015_01 |
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| ORD ID | ord-3af1536cdc5a45268405b5f3c4f0d33c |
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| Source note | uspto-grants-2015_01 |
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