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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 598853Generated: October 26, 2026

Benzenepropanenitrile → HCID 57950710, compound

https://huagongshe.com/reaction/598853

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzenepropanenitrileHCID 12581—
ReactantN-((S)-2-amino-3-(4-chlorophenyl)propyl)-3-(isoquinolin-6-yl)isoxazol-5-amineHCID 25138372—
SolventAcetonitrileHCID 6342—
ProductHCID 57950710HCID 57950710—

Reaction Steps

This compound was synthesized in an analogous manner to N-((S)-2-amino-3-(4-chlorophenyl)propyl)-3-(isoquinolin-6-yl)isoxazol-5-amine starting with commercial available 3-phenylpropionitrile (commercially available from Acros Organics Order Number 17399) instead of acetonitrile. MS m/z: 435 (M+1); 1H NMR (400 MHz, CD3OD) δ ppm 9.43 (br s, 1H), 8.50 (br s, 1H), 8.23 (d, J=8.6, 1H), 8.06 (s, 1H), 7.89 (d, J=9.0, 1H), 7.87 (d, J=9.8, 1H), 7.15-7.42 (m, 10H), 3.89 (s, 2H), 3.70 (m, 1H), 3.57-3.62 (m, 2H), 3.02 (d, J=7.04 Hz, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07897619B2
Source datasetuspto-grants-2011_03
ORD IDord-0d27a5a8e2ef4e31b78299263a022773
Source noteuspto-grants-2011_03