Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate - CAS 13148-05-5

Catalog:	BB043382
Product Name:	Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate
CAS:	13148-05-5
Synonyms:	3-Oxo-4-(triphenylphosphoranylidene)butanoic acid ethyl ester, 4-(Triphenylphosphoranylidene)acetoacetic acid ethyl ester, [3-(Ethoxycarbonyl)-2-oxopropylidene]triphenylphosphorane

Technical Data

IUPAC Name:	ethyl 3-oxo-4-(triphenyl-λ5-phosphanylidene)butanoate
Description:	Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate (CAS# 13148-05-5 ) is a useful research chemical.
Molecular Weight:	390.41
Molecular Formula:	C24H23O3P
Canonical SMILES:	CCOC(=O)CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C24H23O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19H,2,18H2,1H3
InChI Key:	QYXSFVCJCUXGJH-UHFFFAOYSA-N
Boiling Point:	544 °C at 760 mmHg
Melting Point:	101-106 °C
Purity:	95 %
Density:	1.18 g/cm³
Appearance:	Off-white powder

Complexity:	512
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	390.13848159
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	390.13848159
Rotatable Bond Count:	8
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4