Tetrabutylammonium Diphenylphosphinate - CAS 208337-00-2

Catalog:	BB056819
Product Name:	Tetrabutylammonium Diphenylphosphinate
CAS:	208337-00-2
Synonyms:	N,N,N-Tributyl-1-butanaminium Diphenylphosphinate; Diphenylphosphinic Acid Ion(1-) N,N,N-Tributyl-1-butanaminium

Technical Data

IUPAC Name:	diphenylphosphinatetetrabutylazanium
Description:	Tetrabutylammonium Diphenylphosphinate is used as a reagent in the synthesis of the potent antiviral agent (-)-Macrolactin A and its related compounds, (+)-Macrolactin E and (-)-Macrolactinic Acid, via a Stille cross-coupling reaction.
Molecular Weight:	459.64
Molecular Formula:	C28H46NO2P
Canonical SMILES:	CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)[O-]
InChI:	InChI=1S/C16H36N.C12H11O2P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-413-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-16H2,1-4H31-10H,(H,13,14)/q+1/p-1
InChI Key:	SJTBUDAZVPBWQY-UHFFFAOYSA-M
Melting Point:	96-99°C
Solubility:	Methanol (Slightly), Water (Slightly)
Appearance:	White to Off-White Solid
Storage:	4°C, Hygroscopic
References:	Smith, A.B., et al. J. Am. Chem. Soc., 120, 3935 (1998).

Complexity:	326
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	459.32661671
Formal Charge:	0
Heavy Atom Count:	32
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	459.32661671
Rotatable Bond Count:	14
Topological Polar Surface Area:	40.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0