HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1481928Generated: October 31, 2026
Isophthaloyl chloride → tert-butyl N-[(1S)-2-[[(3S)-5-[(6-bromo-2-methoxy-1-naphthyl)methyl]-1-[3-[(3S)-5-[(6-bromo-2-methoxy-1-naphthyl)methyl]-3-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]benzoyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-1-methyl-2-oxo-ethyl]-N-methyl-carbamate
https://huagongshe.com/reaction/1481928

Participants
| Role | Name | HCID | Charge |
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| Reactant | Isophthaloyl chloride | HCID 7451 | — |
| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | {(S)-1-[(S)-1-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylcarbamoyl]-ethyl}-methyl-carbamic acid tert-butyl ester | HCID 72713837 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | tert-butyl N-[(1S)-2-[[(3S)-5-[(6-bromo-2-methoxy-1-naphthyl)methyl]-1-[3-[(3S)-5-[(6-bromo-2-methoxy-1-naphthyl)methyl]-3-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]benzoyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-1-methyl-2-oxo-ethyl]-N-methyl-carbamate | HCID 118677424 | 5.5% |
Reaction Steps
To a stirred solution of {(S)-1-[(S)-1-(6-bromo-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylcarbamoyl]-ethyl}-methyl-carbamic acid tert-butyl ester (Intermediate 11) (300 mg, 0.49 mmol) in THF (10.0 mL) was added Cs2CO3 (320 mg, 0.98 mmol) and stirred at RT for 3 h. The mixture was cooled to 0° C., isophthaloyl dichloride (49 mg, 0.24 mmol) was added, the cooling bath was removed and the mixture was stirred at RT. After 18 h, the mixture was diluted with ethyl acetate, washed with water and brine. The organic layer was evaporated and the residue purified by preparative reverse phase HPLC to afford tert-butyl N-[(1S)-2-[[(3S)-5-[(6-bromo-2-methoxy-1-naphthyl)methyl]-1-[3-[(3S)-5-[(6-bromo-2-methoxy-1-naphthyl)methyl]-3-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]benzoyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-1-methyl-2-oxo-ethyl]-N-methyl-carbamate (18 mg, 3%). LC-MS: 1353.8 (M+H), 1370.8 (M+NH4).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09409888B2 |
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| Source dataset | uspto-grants-2016_08 |
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| ORD ID | ord-25407adc31cb4a498b8c363f701117a6 |
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| Source note | uspto-grants-2016_08 |
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