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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 733630Generated: October 30, 2026

3,3-Dimethylbutanoyl chloride → Methyl 5-[{4-[(4-butylphenyl)ethynyl]benzyl}(3,3-dimethylbutanoyl)amino]-2-fluorobenzoate

https://huagongshe.com/reaction/733630

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3,3-Dimethylbutanoyl chlorideHCID 81514—
ReactantMethyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoateHCID 11452740—
ProductMethyl 5-[{4-[(4-butylphenyl)ethynyl]benzyl}(3,3-dimethylbutanoyl)amino]-2-fluorobenzoateHCID 57841359—

Reaction Steps

The titled compound was prepared following the procedure B using methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate and tert-butylacetyl chloride as a pale yellow oil (97%). 1H NMR (CDCl3, 300 MHz) δ 7.61 (dd, J=6.0, 1.9 Hz, 1H), 7.44 (m, 4H), 7.16 (m, 4H), 7.08 (m, 1H), 6.99 (m, 1H), 4.88 (s, 2H), 3.94 (s, 3H), 2.63 (t, J=7.7 Hz, 2H), 2.00 (s, 2H), 1.61 (m, 2H), 1.37 (m, 2H), 0.99 (s, 9H), 0.94 (t, J=7.3 Hz, 3H). M+ (ESI): 514.0, HPLC, Rt: 5.92 min (Purity: 100.0%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07589232B2
Source datasetuspto-grants-2009_09
ORD IDord-dcbf06ded78540b5bdb39a3eecbc900e
Source noteuspto-grants-2009_09