HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2216686Generated: October 25, 2026
Diisopropylamine → 2,2,6-Trimethyl-heptanoic acid methyl ester
https://huagongshe.com/reaction/2216686
Participants
| Role | Name | HCID | Charge |
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| Reactant | Diisopropylamine | HCID 7912 | — |
| Reactant | Methyl isobutyrate | HCID 11039 | — |
| Reactant | 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl- | HCID 81646 | — |
| Reactant | 1-Iodo-4-methylpentane | HCID 527581 | — |
| Reactant | Butyllithium | HCID 178418339 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Hexane | HCID 8058 | — |
| Product | 2,2,6-Trimethyl-heptanoic acid methyl ester | HCID 21678479 | 99.4% |
Reaction Steps
To diisopropyl amine (1.54 mL, 11.03 mmol) in THF (22 mL) at −78° C. was added nBuLi (6.89 mL of a 1.6 M solution in hexane). The solution was stirred for 30 min at −78° C., followed by the addition of methyl isobutyrate (0.97 mL, 8.48 mmol). The mixture was stirred at −78° C. for 2 h, and then 1-iodo-4-methyl pentane (1.8 g, 8.48 mmol) and DMPU (0.55 mL, 4.24 mmol) in THF (6 mL) was added. The reaction was stirred at −78° C. and allowed to slowly reach ambient temperature over 16 h. The reaction was quenched by the addition of ammonium chloride (saturated aqueous solution), and the mixture was extracted with EtOAc (2×10 mL). The organics were combined, washed with water, dried (MgSO4), filtered and concentrated. Silica gel chromatography (99/1 hexane/EtOAc) provided 1.57 g of 2,2,6-Trimethyl-heptanoic acid methyl ester.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07112610B2 |
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| Source dataset | uspto-grants-2006_09 |
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| ORD ID | ord-d39673d44a37418fa73257d382656777 |
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| Source note | uspto-grants-2006_09 |
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