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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1866685Generated: November 1, 2026

Acetic Acid → Methyl 1-{[2-[(tert-butoxycarbonyl)amino]-2-(3,5-difluorophenyl)propyl]amino}cyclohexanecarboxylate

https://huagongshe.com/reaction/1866685

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantSodium cyanoborohydrideHCID 5003444—
ReactantMethyl 1-aminocyclohexane-1-carboxylate hydrochlorideHCID 22645079—
Reactanttert-butyl N-[2-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamateHCID 86616399—
SolventMethanolHCID 887—
ProductMethyl 1-{[2-[(tert-butoxycarbonyl)amino]-2-(3,5-difluorophenyl)propyl]amino}cyclohexanecarboxylateHCID 66864382—

Reaction Steps

A mixture of tert-butyl [1-(3,5-difluorophenyl)-1-methyl-2-oxoethyl]carbamate from Step C (500 mg, 1.75 mmol), methyl 1-aminocyclohexanecarboxylate hydrochloride from Step D (1.38 g, 8.76 mmol), and AcOH (0.301 mL, 5.26 mmol) in MeOH (15 mL) was stirred at ambient temperature for 30 min. NaCNBH3 (165 mg, 2.63 mmol) was added and the pH of the mixture was checked and adjusted to pH ˜5 as necessary by addition of AcOH. The reaction mixture was stirred at ambient temperature for 1 h, then quenched with saturated aqueous NaHCO3 (10 mL) and extracted with CH2Cl2 (2×50 mL). The combined organic extracts were dried over Na2SO4, filtered, and concentrated in vacuo. The crude product was purified by silica gel chromatography, eluting with hexane:EtOAc—100:0 to 80:20, to give the title compound. MS: m/z=427 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07629338B2
Source datasetuspto-grants-2009_12
ORD IDord-107bfe0cf37b4e258cbefd4bd7b694a9
Source noteuspto-grants-2009_12