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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1601080Generated: October 30, 2026

Water → HCID 21830457, compound

https://huagongshe.com/reaction/1601080

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTrifluoroacetic acidHCID 6422—
ReactantSodium HydroxideHCID 14798—
ReactantHCID 57308363HCID 57308363—
SolventMethanolHCID 887—
ProductHCID 21830457HCID 21830457—

Reaction Steps

A solution of methyl (±)-7-[[[(2-benzimidazolyl)methyl]methylamino]carbonyl]-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-acetate (0.040 g, 0.09 mmol) in a mixture of methanol (7.0 mL), water (0.7 mL), and 1.0 M NaOH (0.7 mL) was kept 16 h at RT. Trifluoroacetic acid (0.5 mL) was added and the solvents were removed to give the crude product. Purification by semi-preparative HPLC (YMC ODS-AQ, 15:85; acetonitrile:water, 0.1% TFA) gave the title compound: MS (ES) m/e 408.2 (M+H)+ ; 1H NMR (250 MHz, DMSO-d6) δ 8.19 (br t, J=4.5 Hz, 1H), 7.72 (m, 2H), 7.38 (m, 2H), 7.28 (d, J=8.4 Hz, 1H), 7.15 (s, 1H), 6.62 (d, J=8.4 Hz, 1H), 6.22 (br s, 1H), 5.05 (m, 1H), 4.95 (s, 2H), 3.74 (dd, 15.8, 7.4 Hz, 1H), 3.15 (s, 3H), 2.75 (dd, J=16.4, 8.5 Hz, 1H), 2.50 (m, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05977101
Source datasetuspto-grants-1999_11
ORD IDord-0b837385634c497082dca0efbdca05b2
Source noteuspto-grants-1999_11