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Merck
CN

669997

Δ-TRISPHAT tetrabutylammonium salt

≥98.5% (31P-NMR)

Synonym(s):

[Tetrabutylammonium] [Δ-tris(tetrachloro-1,2-benzenediolato)phosphate(V)]

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About This Item

Empirical Formula (Hill Notation):
C18Cl12O6P · C16H36N
CAS Number:
301687-57-0
Molecular Weight:
1011.06
NACRES:
NA.22
PubChem Substance ID:
329760365
UNSPSC Code:
12352101
MDL number:
MFCD10566957

Key Documents

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Product Name

Δ-TRISPHAT tetrabutylammonium salt, ≥98.5% (31P-NMR)

InChI

1S/C18Cl12O6P.C16H36N/c19-1-2(20)8(26)14-13(7(1)25)31-37(32-14,33-15-9(27)3(21)4(22)10(28)16(15)34-37)35-17-11(29)5(23)6(24)12(30)18(17)36-37;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h;5-16H2,1-4H3/q-1;+1

SMILES string

CCCC[N+](CCCC)(CCCC)CCCC.Clc1c(Cl)c(Cl)c2O[P-]345(Oc2c1Cl)Oc6c(Cl)c(Cl)c(Cl)c(Cl)c6O3.Clc7c(Cl)c(Cl)c(O4)c(O5)c7Cl

InChI key

GCGVBYHPNKLLAV-UHFFFAOYSA-N

assay

≥98.5% (31P-NMR)

form

solid

optical activity

[α]/D -370±10°, c = 0.1 in ethanol

functional group

amine
chloro

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

Chiral anion mediated asymmetric chemistry

General description

Δ-TRISPHAT tetrabutylammonium salt, containing a hexacoordinated phosphorus anion, is a chiral NMR solvating and asymmetry-inducing reagent.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - 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
BCCL5371
BCCD6894
BCBP7159V
BCBN8725V
BCBM5204V

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C3-Symmetric Trinuclear Molybdenum Cluster Sulfides: Configurational Stability, Supramolecular Stereocontrol, and Absolute Configuration Assignment.
Frantz R, et al.
Inorganic Chemistry, 46(25), 10717-10723 (2007)
Bimacrocyclic concave N-heterocyclic carbenes (NHCs): Synthesis, structure and application in catalyses.
Winkelmann O and Luning U.
Supramolecular Chemistry, 21(3-4), 223-229 (2009)
Application of TRISPHAT anion as NMR chiral shift reagent.
Lacour Je, et al.
Chemical Communications (Cambridge, England), 23, 2285-2286 (1997)
Chiral ion mediated asym. chemistry
Lacour, J.
Chimia, 56, 672-675 (2002)
Jerome Lacour et al.
Organic & biomolecular chemistry, 3(1), 15-19 (2004-12-17)
Chemical reactions and processes often involve chiral, yet racemic, cationic reagents, intermediates or products. To afford instead non racemic or enantiopure compounds, an asymmetric ion pairing of the cations with enantiopure anions can be considered--the counter ions behaving as asymmetric
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