Cas no 62085-96-5 (1,3-Cyclobutanedione, 2,4-bis(triphenylphosphoranylidene)-)
62085-96-5 structure
Product Name:1,3-Cyclobutanedione, 2,4-bis(triphenylphosphoranylidene)-
CAS No:62085-96-5
MF:C40H30O2P2
MW:604.612532138824
CID:458732
PubChem ID:627318
Update Time:2025-04-19
1,3-Cyclobutanedione, 2,4-bis(triphenylphosphoranylidene)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclobutanedione, 2,4-bis(triphenylphosphoranylidene)-
- 2,4-bis(triphenyl-λ<sup>5</sup>-phosphanylidene)cyclobutane-1,3-dione
- PMOMFTOFLMXZIG-UHFFFAOYSA-N
- 2,4-Bis(triphenylphosphoranylidene)-1,3-cyclobutanedione #
- DTXSID70347878
- 62085-96-5
-
- Inchi： 1S/C40H30O2P2/c41-37-39(43(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(42)40(37)44(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
- InChI Key： PMOMFTOFLMXZIG-UHFFFAOYSA-N
- SMILES： P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=C1C(C(C1=O)=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 604.1723
- Monoisotopic Mass: 604.17210419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 44
- Rotatable Bond Count: 6
- Complexity: 913
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Cyclobutanedione, 2,4-bis(triphenylphosphoranylidene)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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