Tetrabutylammonium dihydrogen phosphate

Base Information

• Chemical Name: Tetrabutylammonium dihydrogen phosphate
• CAS No.: 5574-97-0
• Deprecated CAS: 1208325-74-9,1623724-64-0
• Molecular Formula: 2C₁₆H₃₆N*HO₄P
• Molecular Weight: 580.916
• Hs Code.: 29239000
• European Community (EC) Number: 226-947-1
• UNII: CRD3CJW5P4
• DSSTox Substance ID: DTXSID4063951
• ChEMBL ID: CHEMBL1078808
• Mol file: 5574-97-0.mol

Synonyms:5574-97-0;Tetrabutylammonium dihydrogen phosphate;TETRABUTYLAMMONIUM PHOSPHATE;tetrabutylammonium dihydrogenphosphate;1-Butanaminium, N,N,N-tributyl-, phosphate (1:1);Tetrabutylammonium phosphate monobasic;dihydrogen phosphate;tetrabutylazanium;MFCD00064526;CRD3CJW5P4;tetrabutyl-ammonium dihydrogen phosphate;EINECS 226-947-1;TBAP;tetrabutylammoniumphosphate;UNII-CRD3CJW5P4;tetrabutyl ammonium phosphate;SCHEMBL610140;tetra-n-butylammonium phosphate;C16H36N.H2O4P;CHEMBL1078808;DTXSID4063951;HY-W096982A;AKOS015950627;C16-H36-N.H2-O4-P;AS-15201;CS-0148893;FT-0635772;H11293;Tetra-n-butylammonium phosphate, 0.5M in water;A870105

Chemical Property of Tetrabutylammonium dihydrogen phosphate

Chemical Property:

• Appearance/Colour: white coarse crystalline powder
• Melting Point: 151-154 °C(lit.)
• Refractive Index: n20/D 1.369
• Boiling Point: 81-82 °C
• Flash Point: 43 °F
• PSA: 90.40000
• Density: 1.04 g/mL at 20 °C
• LogP: 4.51320
• Storage Temp.: 2-8°C
• Water Solubility.: SOLUBLE
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 339.25384569
• Heavy Atom Count: 22
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tetrabutylammonium phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,Xi
• Hazard Codes: F,Xn,Xi
• Statements: 11-20/21/22-36-36/37/38-22-20/22
• Safety Statements: 26-36/37-45-37/39-24-16-7-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-]
• Uses: Tetrabutylammonium phosphate monobasic solution 1.0 M in H2O is an anti-HIV-active nucleoside Triphosphate prodrugs. Tetrabutylammonium phosphate monobasic is the suitable reagent used in the following studies: Resolution of disaccharides reverse-phase ion-pairing HPLC (RPIP-HPLC). Disaccharide analysis of 35S- heparan sulfate (HS). As folding buffer for the dissolution of desalted oligonucleotides.It may be used as reagent for the analysis of tetrasaccharides and 35S-disaccharides by HPLC. It may also be used in the preparation of monobasic tetrabutylammonium phosphate (TBAP) imprinted polymers. Anion used to probe the structure, stability and intramolecular flexibility of a series of azacrown ethers.

Technology Process of Tetrabutylammonium dihydrogen phosphate

There total 15 articles about Tetrabutylammonium dihydrogen phosphate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

tetra(n-butyl)ammonium hydroxide (2052-49-5) → tetrabutylammonium dihydrogen phosphate (5574-97-0)

Guidance literature:

With phosphoric acid; In water;

DOI:10.1016/S0040-4020(01)87538-4

Reference yield:

tetra(n-butyl)ammonium hydroxide (2052-49-5) → bis(tetra-n-butylammonium) hydrogen phosphate (5574-97-0)

Guidance literature:

With phosphoric acid; In water; pH=7.4;

Reference yield:

C18H30N4OS2*C16H36N(1+)*H2O4P(1-) → tetrabutylammonium dihydrogen phosphate (5574-97-0) + 1-butyl-3-{3-[(3-butyl-thioureido)-methyl]-2-hydroxy-benzyl}-thiourea (321898-65-1)

Guidance literature:

In chloroform-d1; at 20 ℃; Equilibrium constant;

DOI:10.1021/ol006690t

upstream raw materials:

tetra(n-butyl)ammonium hydroxide

C₁₆H₃₆N⁽¹⁺⁾*C₇₂H₇₂N₄O₉*H₂O₄P^(1-)

C₁₆H₃₆N⁽¹⁺⁾*C₃₆H₄₈N₄O₉*H₂O₄P^(1-)

Downstream raw materials:

C₁₆H₃₆N⁽¹⁺⁾*C₇₂H₇₂N₄O₉*H₂O₄P^(1-)

C₁₆H₃₆N⁽¹⁺⁾*C₃₆H₄₈N₄O₉*H₂O₄P^(1-)

Refernces

• 1、 Winstanley, Keith J.,Allen, Sarah J.,Smith, David K.. "Encapsulated binding sites - Synthetically simple receptors for the binding and transport of HCl". scheme or table. p. 4299 - 4301. Retrieved 2011/03/19.
• 2、 El Seoud, Omar A.,Ruasse, Marie-Francoise,Rodrigues, Wagner A.. "Kinetics and mechanism of phosphate-catalyzed hydrolysis of benzoate esters: Comparison with nucleophilic catalysis by imidazole and o-iodosobenzoate". . p. 1053 - 1058. Retrieved 2007/10/03.