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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1367842Generated: November 3, 2026

Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → 3-(3,5-Difluoro-phenyl)-2-[(2-isoquinolin-3-yl-1h-benzoimidazole-4-carbonyl)-amino]-propionic acid methyl ester

https://huagongshe.com/reaction/1367842

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 2733084—
ReactantMethyl 2-amino-3-(3,5-difluorophenyl)propanoate hydrochlorideHCID 66940454—
Reactant2-isoquinolin-3-yl-1H-benzoimidazole-4-carboxylic acidHCID 66940606—
SolventEthyl AcetateHCID 8857—
Product3-(3,5-Difluoro-phenyl)-2-[(2-isoquinolin-3-yl-1h-benzoimidazole-4-carbonyl)-amino]-propionic acid methyl esterHCID 6694035750%

Reaction Steps

145 mg (0.5 mmol) of 2-isoquinolin-3-yl-1H-benzoimidazole-4-carboxylic acid (synthesized in Example 1, Step 3)) was reacted with 280 mg (0.75 mmol) of HBTU and 2-amino-3-(3,5-difluoro-phenyl)-propionic acid methyl ester HCl salt (126 mg, 0.5 mmol) as described in general procedure A. After cooling to room temperature, the reaction mixture was diluted with ethyl acetate (30 mL). The organic phase was washed with 1% NaOH aq. solution, then dried over Na2SO4 and concentrated under vacuum. The residue was purified by flash column chromatography (DCM/EtOAc=1:1 then DCM/EtOAc/MeOH=15:15:1) to give 3-(3,5-difluoro-phenyl)-2-[(2-isoquinolin-3-yl-1H-benzoimidazole-4-carbonyl)-amino]-propionic acid methyl ester (120 mg, 50%). LCMS: 487 (M+1)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07893267B2
Source datasetuspto-grants-2011_02
ORD IDord-ff19450f06e24853a65222cb3c405b5a
Source noteuspto-grants-2011_02