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Merck
CN

696854

Tripotassium 5,5′,5′′-[2,2′,2′′-nitrilotris(methylene)tris(1H-benzimidazole-2,1-diyl)]tripentanoate hydrate

95%

Synonym(s):

(BimC4A)3

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About This Item

Empirical Formula (Hill Notation):
C39H42K3N7O6 · xH2O
Molecular Weight:
822.09 (anhydrous basis)
NACRES:
NA.22
PubChem Substance ID:
329761864
UNSPSC Code:
12352200
MDL number:
MFCD19105621
Assay:
95%
Form:
solid

Key Documents

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InChI key

QRRSLHKLVBVPSD-UHFFFAOYSA-K

SMILES string

O.[K+].[K+].[K+].[O-]C(=O)CCCCn1c(CN(Cc2nc3ccccc3n2CCCCC([O-])=O)Cc4nc5ccccc5n4CCCCC([O-])=O)nc6ccccc16

InChI

1S/C39H45N7O6.3K.H2O/c47-37(48)19-7-10-22-44-31-16-4-1-13-28(31)40-34(44)25-43(26-35-41-29-14-2-5-17-32(29)45(35)23-11-8-20-38(49)50)27-36-42-30-15-3-6-18-33(30)46(36)24-12-9-21-39(51)52;;;;/h1-6,13-18H,7-12,19-27H2,(H,47,48)(H,49,50)(H,51,52);;;;1H2/q;3*+1;/p-3

assay

95%

form

solid

reaction suitability

reaction type: click chemistry

mp

174-180 °C

Application

Water soluble benzimidazole ligand for superior enhancement of copper(I) catalyzed azide-alkyne cycloaddition (CuAAC) reactions

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG6900V

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Valentin O Rodionov et al.
Journal of the American Chemical Society, 129(42), 12696-12704 (2007-10-05)
Tris(2-benzimidazolylmethyl)amines have been found to be superior accelerating ligands for the copper(I)-catalyzed azide-alkyne cycloaddition reaction. Candidates bearing different benzimidazole N-substituents as well as benzothiazole and pyridyl ligand arms were evaluated by absolute rate measurements under relatively dilute conditions by aliquot

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