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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2113314Generated: November 3, 2026

Methyl iodide → HCID 68834385, compound

https://huagongshe.com/reaction/2113314

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl iodideHCID 6328—
Reactant2-Bromoethyl ethyl etherHCID 61141—
ReactantBenzoic acid, 3-amino-, methyl esterHCID 78274—
Reactant3-{2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetylamino}-benzoic acid methyl esterHCID 10218162—
Reactanttert-butyl N-(3-aminophenyl)-N-methylcarbamateHCID 11492276—
ReactantHCID 11594336HCID 11594336—
ProductHCID 68834385HCID 68834385—

Reaction Steps

The title compound was obtained as the hydrochloride salt by the method used in the preparation of 3-{2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetylamino}-benzoic acid methyl ester (Example 1), except that (3-amino-phenyl)-2-ethoxyethyl-carbamic acid tert-butyl ester (obtained using the method employed in the preparation of (3-amino-phenyl)-methyl-carbamic acid tert-butyl ester (Example 3, step c) except that 2-bromoethyl-ethyl ether was used in step b instead of iodomethane) was used instead of 3-amino-benzoic acid methyl ester in step e, followed by reaction of the product obtained, in place of (3-{2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetylamino}-phenyl)-propyl-carbamic acid tert-butyl ester (Example 41, step a) according to the method of Example 41 step b. 1H NMR (CDCl3) 8.45 (1H, s), 7.61 (1H, s), 7.56-7.47 (2H, m), 7.36 (4H, m), 7.03 (1H, d), 4.70 (2H, dd), 4.26 (2H, dd), 3.73 (2H, br s), 3.51 (4H, m), 2.82 (1H, br s), 2.05-1.65 (6H, m), 1.30-1.17 (16H, m). Found: C, 63.90; H, 7.66; N, 11.58%; C32H43N5O4.HCl.0.25H2O requires: C, 63.77; H, 7.44; N, 11.62%.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07524837B2
Source datasetuspto-grants-2009_04
ORD IDord-af2cdcd15ffa4ed2b3c9becb0c2ba994
Source noteuspto-grants-2009_04