chempirical

Triphenylcarbethoxymethylenephosphorane

C22H21O2PCAS 1099-45-2348.38 g/mol

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OOP
Ester

Properties

Molecular formula
C22H21O2P
Molar mass
348.38 g/mol
Exact mass
348.1279 Da
Density
1.09 g/mL
Melting point
123.5–125.5 °C
logP
3.35Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
1099-45-2
SMILES
CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
IIHPVYJPDKJYOU-UHFFFAOYSA-N
InChI
InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

24 names · show all
  • Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
  • Acetic acid, (triphenylphosphoranylidene)-, ethyl ester
  • [(Ethoxycarbonyl)methylene]triphenylphosphorane
  • Ethyl triphenylphosphoranylideneacetate
  • (Triphenylcarbethoxymethylene)phosphorane
  • (Carbethoxymethylene)triphenylphosphorane
  • Carbethoxytriphenylphosphonium methylide
  • (Carbethoxymethylidene)triphenylphosphorane
  • (Triphenylphosphoranylidene)acetic acid ethyl ester
  • (Ethoxycarbonylmethylidene)triphenylphosphorane
  • (2-Ethoxy-2-oxoethylidene)triphenylphosphorane
  • NSC 72406
  • (Triphenylphosphanylidene)acetic acid ethyl ester
  • (Triphenyl-λ5-phosphanylidene)acetic acid ethyl ester
  • Ethyl 2-(triphenyl-λ5-phosphanylidene)acetate
  • Ethyl (triphenylphosphanylidene)acetate
  • Ethyl 2-(triphenylphosphanylidene)acetate
  • (Carbethoxymethylene)triphenylphosphoran
  • Phosphonium, triphenyl-, carboxymethylide ethyl ester
  • Acetic acid, (triphenylphosphonio)-, ethyl ester, ylide
  • Phosphonium, triphenyl-, 2-ethoxy-2-oxoethylide
  • Triphenylphosphonium ethoxycarbonylmethylide
  • NSC 167159
  • Phosphonium, (2-ethoxy-2-oxoethyl)triphenyl-, inner salt

Work with Triphenylcarbethoxymethylenephosphorane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carbomethoxymethylenetriphenylphosphorane2605-67-662 % similar Ethyl cinnamate103-36-657 % similar (tert-Butoxycarbonylmethylene)triphenylphosphorane35000-38-557 % similar 1-(Triphenylphosphoranylidene)-2-propanone1439-36-756 % similar Ethyl (2E)-4-oxo-4-phenyl-2-butenoate15121-89-854 % similar (Carbethoxyethylidene)triphenylphosphorane5717-37-350 % similar Ethyl 3-(phenylamino)-2-butenoate6287-35-050 % similar 1-Phenyl-2-(triphenylphosphoranylidene)ethanone859-65-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2,4,6-Trimethylbenzoyl)diphenylphosphine oxide75980-60-8

Elsewhere

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