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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 348824Generated: November 1, 2026

1,2-Dichloroethane → N1-((1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl)-5-ethynyl-N3,N3-dipropylisophthalamide

https://huagongshe.com/reaction/348824

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,2-DichloroethaneHCID 11—
Reactant1-HydroxybenzotriazoleHCID 75771—
ReactantDiisopropylethylamineHCID 81531—
Reactant3-Carbamoyl-5-dipropylcarbamoyl-benzoic acidHCID 22394891—
Reactant(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxybenzyl)amino]-2-butanol TrifluoroacetateHCID 69869154—
SolventWaterHCID 962—
SolventDichloromethaneHCID 6344—
ProductN1-((1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl)-5-ethynyl-N3,N3-dipropylisophthalamideHCID 86585857—

Reaction Steps

A mixture of 3-[(dipropylamino)carbonyl]-5-ethynylbenzoic acid (IX, 231 mg, 0.8 mmol), (2R,3S)-3-amino-4-phenyl-1-{[3-(trifluoromethyl)benzyl]amino}-2-butanol dihydrochloride (VIII, Step 2, 493.5 mg, 1.2 mmol) HOBt (162 mg, 1.2 mmol), and diisopropylethylamine (832 Micro Liter, 4.8 mmol) is stirred in methylene chloride (4 mL) for 15 minutes EDC (206 mg, 1.2 mmol) is added and the reaction mixture is stirred overnight. The reaction mixture is diluted with water, and extracted with methylene chloride (3×25 mL). The organic phase is washed with hydrochloric acid (1N, 25 mL), saturated sodium bicarbonate (25 mL), saline dried over sodium sulfate and concentrated under reduced pressure. Purification by flash column chromatography (silica, 100% ethyl acetate to methanol/chloroform, 1/9) gives title compound, IR (ATR): 3302, 2963, 2932 and 1615 cm−1; MS (m/z) [M+H]+=549.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07176242B2
Source datasetuspto-grants-2007_02
ORD IDord-a3d102d78c374248842a26994f93ecc6
Source noteuspto-grants-2007_02