HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 416429Generated: October 30, 2026
Trimethylsilyl iodide → (S)-3-amino-2-(3-(2-chloro-3-fluorobenzyl)-1-methylureido)propyl isoquinolin-3-ylcarbamate
https://huagongshe.com/reaction/416429
Participants
| Role | Name | HCID | Charge |
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| Reactant | Trimethylsilyl iodide | HCID 85247 | — |
| Reactant | Isoquinolin-3-yl-carbamic acid (S)-3-benzyloxycarbonylamino-2-[3-(2-chloro-3-fluoro-benzyl)-1-methyl-ureido]-propyl ester | HCID 57947695 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | (S)-3-amino-2-(3-(2-chloro-3-fluorobenzyl)-1-methylureido)propyl isoquinolin-3-ylcarbamate | HCID 57947642 | 275.6% |
Reaction Steps
To a solution of isoquinolin-3-yl-carbamic acid (S)-3-benzyloxycarbonylamino-2-[3-(2-chloro-3-fluoro-benzyl)-1-methyl-ureido]-propyl ester (1.3 g, 2.13 mmol) in CH3CN (20.0 mL) was added TMSI (0.35 mL, 2.56 mmol). The mixture was stirred at RT for 15 min and quenched with MeOH (20.0 mL). The resulting mixture was stirred for another 15 min, concentrated to dryness, and partitioned in between ether (30 mL) and HCl (2 N, 20 mL). The aqueous layer was separated, basified to pH 9, and extracted with EtOAc (200 mL×2). The combined organic layers were washed brine, dried over Na2SO4, filtered, and concentrated under reduced pressure to give (S)-3-amino-2-(3-(2-chloro-3-fluorobenzyl)-1-methylureido)propyl isoquinolin-3-ylcarbamate (2.7 g) as a light yellow foam solid, which was used without further purification. LRMS (M+H+) m/z 460.1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08088793B2 |
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| Source dataset | uspto-grants-2012_01 |
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| ORD ID | ord-0b471aa78782420badbcd6936684520d |
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| Source note | uspto-grants-2012_01 |
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