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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1910197Generated: October 26, 2026

Diisopropylethylamine → 2-[(6-phenylethynyl-pyridine-2-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester

https://huagongshe.com/reaction/1910197

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 2733084—
Reactantmethyl 2-amino-1H-benzo[d]imidazole-4-carboxylateHCID 24730367—
Reactant6-Phenylethynyl-pyridine-2-carboxylic acidHCID 66940404—
SolventDimethylformamideHCID 6228—
Product2-[(6-phenylethynyl-pyridine-2-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl esterHCID 5872445988.3%

Reaction Steps

To a solution of 4.4 g (20 mmol) of 6-phenylethynyl-pyridine-2-carboxylic acid in DMF (30 mL) was added 7.6 g (20 mmol) of HBTU and DIEA (4 mL). The resulted mixture was stirred at room temperature for 10 min, then 4 g (21 mmol) of 2-amino-1H-benzoimidazole-4-carboxylic acid methyl ester (Intermediate A) was added, and stirred at room temperature for 1 h. After usual workup as described in general procedure A, 7 g (88%) of 2-[(6-phenylethynyl-pyridine-2-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester was obtained after column chromatography purification eluting with DCM/EtOAc. LCMS: 397 (M+1)+. 1H NMR (DMSO-d6, 400 MHz): δ 8.20 (dd, 1H), 8.13 (dd, 1H), 7.96 (d, 1H), 7.81 (d, 1H), 7.74 (d, 1H), 7.60 (m, 2H), 7.50 (m, 3H), 7.31 (t, 1H), 3.95 (s, 3H) ppm.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08598353B2
Source datasetuspto-grants-2013_12
ORD IDord-1bad764e81c04e9984c3ae6581ae4829
Source noteuspto-grants-2013_12