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经验公式(希尔记法):
C18Cl12O6P · C16H36N
化学文摘社编号:
分子量:
1011.06
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
MDL number:
产品名称
Δ-TRISPHAT, ≥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
Application
手性阴离子介导的不对称化学
General description
Δ-TRISPHAT四丁基铵盐,含有一个六配位的磷阴离子,是一种手性NMR溶剂和不对称诱导剂。
Packaging
无底玻璃瓶。内含物在插入的融合锥体内。
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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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