CAS 5717-37-3

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Also known as: 5717-37-3, Ethyl 2-(triphenylphosphoranylidene)propanoate, (1-ethoxycarbonylethylidene)triphenylphosphorane, Ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate, Propanoic acid, 2-(triphenylphosphoranylidene)-, ethyl ester, (1-ethoxycarbonylethylethylidene)triphenylphosporane

Molecular Formula

C₂₃H₂₃O₂P

Molecular Weight

362.4 g/mol

InChI Key

KZENFXVDPUMQOE-UHFFFAOYSA-N

1 2D Structure

CAS 5717-37-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-(triphenyl-5-phosphanylidene)propanoate

2.1.2 InChI

InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3

2.1.3 InChI Key

KZENFXVDPUMQOE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5717-37-3

2. Ethyl 2-(triphenylphosphoranylidene)propanoate

3. (1-ethoxycarbonylethylidene)triphenylphosphorane

4. Ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate

5. Propanoic Acid, 2-(triphenylphosphoranylidene)-, Ethyl Ester

6. (1-ethoxycarbonylethylethylidene)triphenylphosporane

7. 1-(ethoxycarbonyl)ethylidenetriphenylphosphorane

8. Mfcd00009160

9. (carbethoxyethylidine)triphenylphosphorane

10. 1-carboethoxyethylidenetriphenylphosphorane

11. (1-[ethoxycarbonyl]ethylidene)triphenylphosphoran

12. 21382-82-1

13. Einecs 227-215-4

14. Ethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanoate

15. 2-(triphenyl-phosphanylidene)-propionic Acid Ethyl Ester

16. Ethyl 2-(triphenylphosphoranyl)propanoate

17. (ethoxycarbonylethylidene)triphenylphosphorane

18. Schembl52771

19. Dtxsid20205818

20. Propionic Acid, 2-(triphenylphosphoranylidene)-, Ethyl Ester

21. Bcp11091

22. Nsc76468

23. Str03326

24. 1-ethoxycarbonyl-ethyliden-phosphoran

25. Nsc 76468

26. Nsc-76468

27. Zinc95736198

28. Akos015838783

29. Cs-w020041

30. Jc10160

31. Sb11008

32. (carbethoxyethylidine)triphenyl-phosphorane

33. (1-carbethoxyethylidene)triphenylphosphorane

34. Db-111673

35. Ethyl 2-(triphenylphosphanylidene)propionate

36. C1641

37. Ethyl-2(triphenylphosphoranylidene)propionate

38. Ethyl2-(triphenylphosphoranylidene)propanoate

39. Ft-0607568

40. (carbethoxyethylidene)triphenylphosphorane, 94%

41. (1-ethoxycarbonylethylidene)-triphenylphosphorane

42. (1-ethoxycarbonylethylidene)triphenyl Phosphorane

43. Carbethoxyethylidene Triphenylphosphorane(ceetpp)

44. Triphenyl(1[ethoxycarbonyl]ethylidene)phosphorane

45. (1-ethoxy Carbonylethylidene)triphenyl Phosphorane

46. (alpha-carbethoxy-ethylidene)-triphenyl-phosphorane

47. Triphenyl(1-[ethoxycarbonyl]ethylidene)phosphorane

48. 2-(triphenylphosphonio)-1-oxo-1-ethoxypropan-2-ide

49. Phosphonium, (1-carboxyethyl)triphenyl-, Ethyl Ester-

50. 2-(triphenylphosphoranylidene)propionic Acid Ethyl Ester

51. Propanoic Acid, 2-triphenylphosphoranylidene-, Ethyl Ester

52. Phosphonium, (1-carboxyethyl)triphenyl-, Chloride, Ethyl Ester

53. Propionic Acid, 2- (triphenylphosphoranylidene)-, Ethyl Ester

54. 2-(triphenylphosphoranylidene)-propanoic Acid Ethyl Ester

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₃O₂P
Molecular Weight	362.4 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	362.14356697 g/mol
Monoisotopic Mass	362.14356697 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	454
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1