Cas no 65434-72-2 (Butanedioic acid, (triphenylphosphoranylidene)-, 1-ethyl ester)
65434-72-2 structure
Product Name:Butanedioic acid, (triphenylphosphoranylidene)-, 1-ethyl ester
CAS No:65434-72-2
MF:C24H22O4P
MW:405.402847766876
CID:399260
PubChem ID:71375920
Update Time:2025-04-19
Butanedioic acid, (triphenylphosphoranylidene)-, 1-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, (triphenylphosphoranylidene)-, 1-ethyl ester
- 4-ethoxy-4-oxo-3-(triphenyl-λ<sup>5</sup>-phosphanylidene)butanoate
- 4-Ethoxy-4-oxo-3-(triphenyl-lambda~5~-phosphanylidene)butanoate
- 65434-72-2
- DTXSID90798646
- 4-ethoxy-4-oxo-3-(triphenyl-lambda5-phosphanylidene)butanoate
-
- Inchi： 1S/C24H23O4P/c1-2-28-24(27)22(18-23(25)26)29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3,(H,25,26)/p-1
- InChI Key： FXMXQZFRACBYPA-UHFFFAOYSA-M
- SMILES： P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=C(C(=O)OCC)CC(=O)[O-]
Computed Properties
- Exact Mass: 405.12566
- Monoisotopic Mass: 405.12557118g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 7
- Complexity: 551
- 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: 4.7
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
Butanedioic acid, (triphenylphosphoranylidene)-, 1-ethyl ester Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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