Chlorine → HCID 178426989, compound

HRID 2053889Notes

Reaction equation

HRID 2053889 reaction equation
[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[C:11]([N:13]1[CH2:17][CH:16]=[CH:15][CH2:14]1)=[O:12])[C:5]([OH:7])=O.[CH3:18][N:19](C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)CC)(C)C.[Cl:49][C:50]1[CH:66]=[CH:65][C:53]2[NH:54][C:55]([CH:57](N)[C:58]3[CH:63]=[CH:62][CH:61]=[CH:60]C=3)=[N:56][C:52]=2[CH:51]=1.ClCl>O1CCCC1.ClCCl.CO>[Cl:49][C:50]1[CH:66]=[CH:65][C:53]2[NH:54][C:55]([C:57]3([CH2:18][NH:19][C:5](=[O:7])[C:4]4[CH:8]=[CH:9][C:10]([C:11]([N:13]5[CH2:17][CH:16]=[CH:15][CH2:14]5)=[O:12])=[C:2]([CH3:1])[CH:3]=4)[CH:58]=[CH:63][CH:62]=[CH:61][CH2:60]3)=[N:56][C:52]=2[CH:51]=1

Participants

8

Reactant 5

HCID 24526ChlorineHCID 81531DiisopropylethylamineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 118586383-Methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acidHCID 431144671-(5-chloro-1H-benzimidazol-2-yl)-1-phenyl-methylamine

Product 1

HCID 178426989HCID 178426989, compound

Reagents, catalysts & solvents 2

HCID 8028TetrahydrofuranSolventHCID 21226129Dichloromethane methanolSolvent

Procedure

Prepared analogously to Example 1g from 3-methyl-4-(2,5-dihydropyrrol-1-ylcarbonyl)benzoic acid, TBTU, diisopropylethylamine, and rac.—C-(5-chloro-1H-benzimidazol-2-yl)-C-phenylmethylamine in tetrahydrofuran. Yield: quantitative; Rf value: 0.39 (silica gel; dichloromethane/methanol=9:1); C27H23ClN4O2 (470.96); mass spectrum: (M+H)+=471/473 (chlorine isotope).

Sources & evidence

ORD record
ord-6737275cde5043bcb690973b551a5a73
Source dataset
uspto-grants-2008_02
Patent number
US07326791B2

Reaction notes

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