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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 383470Generated: October 30, 2026

Tri-o-tolylphosphine → 1-(2,3-Difluoro-4-hydroxy-phenyl)-2-(2-methyl-allyl)-1H-indole-3-carbonitrile

https://huagongshe.com/reaction/383470

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTri-o-tolylphosphineHCID 80271—
ReactantMethallyltri-n-butyltinHCID 11013379—
Reactant2-bromo-1-(2,3-difluoro-4-hydroxyphenyl)-1H-indole-3-carbonitrileHCID 44464805—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventDimethylformamideHCID 6228—
Product1-(2,3-Difluoro-4-hydroxy-phenyl)-2-(2-methyl-allyl)-1H-indole-3-carbonitrileHCID 44466935—

Reaction Conditions

Temperature80 °C

Reaction Steps

A mixture of 2-bromo-1-(2,3-difluoro-4-hydroxyphenyl)-1H-indole-3-carbonitrile (Example 103), methallyltri-n-butyltin (2 eq), Pd2(dba)3 (0.05%) and tri(o-tolyl)phosphine (20%) was dissolved in DMF, degassed with N2 and heated at 80° C. over night. The reaction mixture was quenched by addition of sat. NH4Cl, diluted with EtOAc, and washed with brine and then dried over Na2SO4. The residue was subjected to reversed phase preparative HPLC. Appropriate fractions were combined and evaporated, and identified by 1H NMR. ES/MS m/z: 289.11 (M+H), 287.15 (M−H); 1H NMR (chloroform-d, 500 MHz): 7.76 (m, 1H), 7.28 (m, 1H), 7.23 (m, 1H), 7.17 (m, 2H), 7.13 (m, 1H), 6.98 (m, 2H), 5.86 (m, 1H), 1.98 (d, 3H, J=1.3 Hz) and 1.89 (d, 3H, J=1.2 Hz).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08367665B2
Source datasetuspto-grants-2013_02
ORD IDord-5e52e7028b50493ba9fe4dda12e2a493
Source noteuspto-grants-2013_02