CAS 859-65-4|(Benzoylmethylene)triphenylphosphorane|1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethan-1-one|1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethanone|1-Phenyl-2-(triphenylphosphoranylid...

General Information

Structure

Molecular Formula

C₂₆H₂₁OP

Molecular Mass

380.418101

Exact Mass

380.13300192

Charge

InChI

InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H

InChIKey

MZRSAJZDYIISJW-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.6869

LogD (pH = 7.4)

6.6869

Log P

6.6869

Molar Refractivity

117.4971

Polarizability

45.89269

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(Benzoylmethylene)triphenylphosphorane1-Phenyl-2-(triphenylphosphoranylidene)ethan-1-one(Benzoylmethylene)triphenylphosphoranealpha-(Triphenylphosphoranylidene)acetophenone(苯甲酰基亚甲基)三苯基膦

IUPAC name

1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethan-1-one 1-phenyl-2-(triphenyl-λ⁵-phosphanylidene)ethan-1-one

IUPAC Traditional name

1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethanone 1-phenyl-2-(triphenyl-λ⁵-phosphanylidene)ethanone

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number

Beilstein Number

EC Number

Registration numbers

Properties

Product Information

Purity

98+%

Physical Property

Melting Point

183-186°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

From Data Sources

• Stable ylide which reacts with aldehydes to give ɑ?-unsaturated ketones. See Appendix 1. For preparation of unsubstituted vinyl ketones from this and related ylides with paraformaldehyde, see: Synthesis, 31 (1970).

• Can be converted by C-acylation to a diacylphosphorane, which can be oxidized to a 1,2,3-triketone. For reaction scheme, see N,O-Bis(trimethylsilyl)acetamide, L00183.

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC name

1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethan-1-one 1-phenyl-2-(triphenyl-λ⁵-phosphanylidene)ethan-1-one

IUPAC Traditional name

1-phenyl-2-(triphenyl-$l^{5}-phosphanylidene)ethanone 1-phenyl-2-(triphenyl-λ⁵-phosphanylidene)ethanone

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number

Beilstein Number

EC Number

Properties

Product Information

Purity

98+%

Physical Property

Melting Point

183-186°C

References

PubChem Literature

From Data Sources

• Can be converted by C-acylation to a diacylphosphorane, which can be oxidized to a 1,2,3-triketone. For reaction scheme, see N,O-Bis(trimethylsilyl)acetamide, L00183.

Bioactivity

PubChem BioAssay

Molecule

ID:74849