HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1620908Generated: October 31, 2026
1,4-Dibromobenzene → (S)-2-[[(S)-alpha-(Trifluoromethyl)-4-bromobenzyl]amino]-4-methyl-1-pentanol
https://huagongshe.com/reaction/1620908
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1,4-Dibromobenzene | HCID 7804 | — |
| Reactant | Ammonium Chloride | HCID 25517 | — |
| Reactant | t-Butylammonium fluoride | HCID 21866379 | — |
| Reactant | Butyllithium | HCID 178418339 | — |
| Reactant | HCID 178445929 | HCID 178445929 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | (S)-2-[[(S)-alpha-(Trifluoromethyl)-4-bromobenzyl]amino]-4-methyl-1-pentanol | HCID 11256730 | — |
Reaction Steps
n-BuLi (2.5 M in hexanes, 42 mL) was added to a −70° C. THF (400 mL) solution of 1,4-dibromobenzene (25.8 g) and the mixture was stirred for 25 minutes. A THF (30 mL) solution of (2S)-1-{[tert-butyl(dimethyl)silyl]oxy}-4-methyl-N-[(1E)-2,2,2-trifluoroethylidene]pentan-2-amine (31 g) was then added dropwise and the mixture was stirred for 1.5 hour. It was then poured slowly into a mixture of ethyl acetate (500 mL), water (2 L), ice (300 g) and ammonium chloride (100 g) under vigorous stirring. The organic layer was separated and the aqueous further extracted with ethyl acetate (2×500 mL). The combined organic layers were washed with brine, dried with magnesium sulfate and the solvent was removed in vacuo to yield a residue, which was used as such. The residue from above was dissolved in THF (250 mL) and the solution was cooled to 0° C. A 1 M THF solution of t-butylammonium fluoride (110 mL) was added dropwise and the mixture was reacted for 4 hours. It was poured into ethyl acetate (300 mL), water (2 L) and ammonium chloride (100 g) under vigorous stirring. The organic layer was separated and the aqueous further extracted with ethyl acetate (2×100 mL). The combined organic layers were washed with brine, dried with magnesium sulfate and the solvent was removed in vacuo to yield a residue which was purified on SiO2 using a gradient of ethyl acetate and hexanes (1:5 to 1:4) as eluant to yield the title compound.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08772336B2 |
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| Source dataset | uspto-grants-2014_07 |
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| ORD ID | ord-4bcd4b6c09454b5a8f0f636f34481741 |
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| Source note | uspto-grants-2014_07 |
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