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Tris(tetrabutylammonium) hydrogen pyrophosphate

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Tris(tetrabutylammonium) hydrogen pyrophosphate Basic information

Product Name:
Tris(tetrabutylammonium) hydrogen pyrophosphate
Synonyms:
  • Tris(tetrabutylammonium) hydrogen pyrophosphate,Pyrophosphoric acid tris(tetrabutylammonium) salt, Tetrabutylammonium pyrophosphate (3:1)
  • TETRABUTYLAMMONIUM PYROPHOSPHATE (3:1)
  • PYROPHOSPHORIC ACID TRIS(TETRABUTYLAMMONIUM) SALT
  • TRIS(TETRABUTYLAMMONIUM) HYDROGEN PYROPHOSPHATE
  • Tris(tetrabutylaMMoniuM) hydrogen pyrophosphate >=97.0% (calc. on dry substance, T)
  • Tris(tetrabutylammonium) pyrophosphate
  • Tris(tetra-N-butylammonium)diphosphate
  • Tris(tetra-n-butylamonium) hydrogen pyrophosphate
CAS:
76947-02-9
MF:
C16H37NO7P2(-2)
MW:
417.42
Mol File:
76947-02-9.mol
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Tris(tetrabutylammonium) hydrogen pyrophosphate Chemical Properties

Melting point:
145 - 148°C
storage temp. 
2-8°C
solubility 
Methanol (Slightly), Water (Slightly)
form 
Solid
color 
White to Light Yellow
BRN 
4632762
Stability:
Hygroscopic
InChI
InChI=1S/C16H36N.H4O7P2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2,3)7-9(4,5)6/h5-16H2,1-4H3;(H2,1,2,3)(H2,4,5,6)/q+1;/p-3
InChIKey
BMTUFQKYWWLCLC-UHFFFAOYSA-K
SMILES
[N+](CCCC)(CCCC)(CCCC)CCCC.O(P(O)([O-])=O)P([O-])([O-])=O
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26
WGK Germany 
3
3-10

MSDS

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Tris(tetrabutylammonium) hydrogen pyrophosphate Usage And Synthesis

Description

Tris(tetrabutylammonium) hydrogen pyrophosphate is a reagent used for pyrophosphorylation, reactions involving isoprenoid derivatives, and the pyrophosphorylation and triphosphorylation of nucleosides.
Tris(tetrabutylammonium) hydrogen pyrophosphate. A new reagent for the preparation of allylic pyrophosphate esters

Chemical Properties

White Crystalline Powder

Uses

Phosphorylating reagent.

Application

Tris(tetrabutylammonium) hydrogen pyrophosphate was used for:
Reagent for pyrophosphorylation
reaction of isoprenoid derivatives
Pyrophosphorylation of nucleosides
Triphosphorylation of nucleosides

General Description

Tris(tetrabutylammonium) hydrogen pyrophosphate is a triphosphate that is used as a nucleophile in organic synthesis. It reacts with isopropyl alcohol to form the corresponding cyclic adducts, which can be isolated as the corresponding acetonitrile salts. Tris(tetrabutylammonium) hydrogen pyrophosphate is also used as an intermediate for the synthesis of other molecules, such as geranyl, and provides a predictable means of synthesizing isotopomers of these molecules. This molecule may be prepared by reacting ammonium bicarbonate with chloride and then adding isopropyl alcohol to the mixture.

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