CAS 5717-37-3|Ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate|(Ethoxycarbonylethylidene)triphenylphosphorane|ethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanoate|ethyl 2-(triphenyl-$l^{5}-phos...

General Information

Structure

Molecular Formula

C₂₃H₂₃O₂P

Molecular Mass

362.401281

Exact Mass

362.14356661

Charge

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

InChIKey

KZENFXVDPUMQOE-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C

Isomeric Smiles

C(=O)(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C)OCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.8384

LogD (pH = 7.4)

6.8384

Log P

6.8384

Molar Refractivity

107.6874

Polarizability

42.46232

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

Ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate(Ethoxycarbonylethylidene)triphenylphosphoraneEthyl 2-(triphenylphosphoranylidene)propanoate乙氧甲酰基亚乙基三苯基膦Ethyl 2-(triphenylphosphoranylidene)propionate(Carbethoxyethylidene)triphenylphosphorane乙氧甲酰亚乙基三苯基膦(1-乙氧基羰基乙基亚乙基)三苯基磷烷(1-Ethoxycarbonylethylidene)triphenylphosphorane(1-Carboethoxyethylidene)triphenylphosphorane

IUPAC Traditional name

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanoate ethyl 2-(triphenyl-λ⁵-phosphanylidene)propanoate

IUPAC name

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanoate ethyl 2-(triphenyl-λ⁵-phosphanylidene)propanoate

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

EC Number

CAS Number

MDL Number

Beilstein Number

Registration numbers

Properties

Physical Property

158-162 °C(lit.)

154-160°C

Properties

Related Proteins

Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

377708

Other Notes
Contains triphenylphosphine oxide
Packaging
5, 25 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• With acyl halides, gives allenic esters: Helv. Chim. Acta, 63, 438 (1980); Org. Synth. Coll., 7, 232 (1990):

• Stable ylide which reacts with aldehydes to give ?-substituted methacrylic esters. See Appendix 1.

• Reacts with the carbonyl group of succinic anhydride giving an intermediate useful in the synthesis of 2,2-dialkylcyclopentane-1,3-diones: Synthesis, 845 (1986):

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanoate ethyl 2-(triphenyl-λ⁵-phosphanylidene)propanoate

IUPAC name

ethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanoate ethyl 2-(triphenyl-λ⁵-phosphanylidene)propanoate

Registration numbers

PubChem CID

PubChem SID

EC Number

CAS Number

MDL Number

Beilstein Number

Molecule Details

377708

Other Notes
Contains triphenylphosphine oxide
Packaging
5, 25 g in glass bottle

References

PubChem Literature

From Data Sources

• With acyl halides, gives allenic esters: Helv. Chim. Acta, 63, 438 (1980); Org. Synth. Coll., 7, 232 (1990):

• Stable ylide which reacts with aldehydes to give ?-substituted methacrylic esters. See Appendix 1.

• Reacts with the carbonyl group of succinic anhydride giving an intermediate useful in the synthesis of 2,2-dialkylcyclopentane-1,3-diones: Synthesis, 845 (1986):

Bioactivity

PubChem BioAssay

Properties

Physical Property

158-162 °C(lit.)

154-160°C

Molecule

ID:68847