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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 20941Generated: October 26, 2026

N-Methylbutylamine → 3-(Butyl(methyl)carbamoyl)benzoic acid

https://huagongshe.com/reaction/20941

Reaction equation

Participants

RoleNameHCIDCharge
ReactantN-MethylbutylamineHCID 8068—
ReactantDiisopropylethylamineHCID 81531—
Reactant3-(Methoxycarbonyl)benzoic acidHCID 601880—
ReactantN-Boc-cis-4-hydroxy-D-prolineHCID 688616—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
ReactantMethyl 3-(butyl(methyl)carbamoyl)benzoateHCID 67316285—
SolventDimethylformamideHCID 6228—
SolventDichloromethaneHCID 6344—
Product3-(Butyl(methyl)carbamoyl)benzoic acidHCID 43452775—

Reaction Steps

Step F (1): Methyl 3-(butyl(methyl)carbamoyl)benzoate. To a solution of 3-(methoxycarbonyl)benzoic acid (1.8 g, 10 mmol) in dichloromethane (40 mL) and DMF (20 mL) was added Hunig's base (2.58 g, 20 mmol) to make a clear solution and HATU (4.18 g, 11 mmol) was then added. After stirring for 10 min, the reaction mixture was added methylbutylamine (1.13 g, 13 mmol) and the reaction mixture was stirred at rt for 3 h. Dichloromethane was removed and ethyl acetate (300 mL) was added and the mixture was washed with 1N HCl, sodium carbonate solution, H2O, dried and concentrated to give the title compound ready for next step without purification: 1H NMR (CDCl3, 500 MHz) δ 0.79-0.98 (3H, m), 1.15 (1H, m), 1.41 (1H, brd s), 1.52 (1H, brd s), 1.64 (1H, m), 2.92-3.07 (2H, m), 3.21 (1H, brd s), 3.53 (1H, brd s), 3.91 (3H, s), 7.47 (1H, m), 7.58 (1H, d, J=10 Hz), 8.05-8.07 (2H, m).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07745470B2
Source datasetuspto-grants-2010_06
ORD IDord-f25d641a01ff4f0589ae2ceffe2cc078
Source noteuspto-grants-2010_06