Benzenamine, 3-ethynyl- → HCID 86607966, compound

HRID 900321Notes

Reaction equation

HRID 900321 reaction equation
[CH2:1]([O:4][C:5]([C@@H:7]1[CH2:12][CH2:11][N:10]([CH2:13][C:14]2[CH:23]=[CH:22][CH:21]=[C:20]3[C:15]=2[C:16](SC)=[N:17][CH:18]=[N:19]3)[CH2:9][C@@H:8]1[C:26]([O:28][CH3:29])=[O:27])=[O:6])[CH:2]=[CH2:3].[C:30]([C:32]1[CH:33]=[C:34]([CH:36]=[CH:37][CH:38]=1)[NH2:35])#[CH:31].C(OC([C@@H]1CCN(CC2C=CC=C3C=2C(NC2C=CC=C(OC)C=2)=NC=N3)C[C@@H]1C(OC)=O)=O)C=C>CO>[CH2:1]([O:4][C:5]([C@@H:7]1[CH2:12][CH2:11][N:10]([CH2:13][C:14]2[CH:23]=[CH:22][CH:21]=[C:20]3[C:15]=2[C:16]([NH:35][C:34]2[CH:36]=[CH:37][CH:38]=[C:32]([C:30]#[CH:31])[CH:33]=2)=[N:17][CH:18]=[N:19]3)[CH2:9][C@@H:8]1[C:26]([O:28][CH3:29])=[O:27])=[O:6])[CH:2]=[CH2:3]

Participants

5

Reactant 3

HCID 104682Benzenamine, 3-ethynyl-HCID 68897788HCID 68897788, compoundHCID 68900372HCID 68900372, compound

Product 1

HCID 86607966HCID 86607966, compound

Reagents, catalysts & solvents 1

HCID 887MethanolSolvent

Procedure

Compound 18A was prepared from 15B and 3-ethynylaniline in a similar way as 15C. It has an analytical HPLC retention time=2.353 min (Chromolith SpeedROD column 4.6×50 mm, 10-90% aqueous methanol containing 0.1% TFA over 4 minutes, 4 mL/min, monitoring at 254 nm) and a LC/MS M++H=500+.

Sources & evidence

ORD record
ord-970aca6e260e4b65bbc9c6fcdb5367bb
Source dataset
uspto-grants-2008_04
Patent number
US07358256B2

Reaction notes

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