Carbomethoxymethylenetriphenylphosphorane

C21H19O2PCAS 2605-67-6334.35 g/mol

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OOP
Ester

Properties

Molecular formula
C21H19O2P
Molar mass
334.35 g/mol
Exact mass
334.1123 Da
Melting point
164 °C
logP
2.96Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2605-67-6
SMILES
COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
NTNUDYROPUKXNA-UHFFFAOYSA-N
InChI
InChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3

Weigh it out

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Names and synonyms

22 names · show all
  • Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
  • Acetic acid, (triphenylphosphoranylidene)-, methyl ester
  • (Carbomethoxymethylene)triphenylphosphorane
  • Triphenyl(carbomethoxymethylene)phosphorane
  • [(Methoxycarbonyl)methylene]triphenylphosphorane
  • (Triphenylphosphoranylidene)acetic acid methyl ester
  • Methyl (triphenylphosphoranylidene)ethanoate
  • Methyl (triphenylphosphoranylidene)acetate
  • (Carbomethoxymethylene)triphenylphosphine
  • (Triphenylphosphoranylidene) methyl acetate
  • (2-Methoxy-2-oxoethylidene)triphenylphosphorane
  • Methyl triphenylphosphorylideneacetate
  • NSC 117573
  • NSC 407395
  • Methyl 2-(triphenylphosphoranylidene)acetate
  • (Carbomethoxymethylidene)triphenylphosphorane
  • Methyl triphenylphosphonoacetate
  • 2-(Triphenylphosphoranylidene)acetic acid methyl ester
  • Methyl triphenylphosphoranylideneacetate
  • Methyl 2-(triphenyl-λ5-phosphaneylidene)acetate
  • Methyl (triphenylphosphoranyl)acetate
  • Methyl triphenylphosphanylideneacetate

Work with Carbomethoxymethylenetriphenylphosphorane

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

Triphenylcarbethoxymethylenephosphorane1099-45-262 % similar tert-Butyl (triphenylphosphoranylidene) acetate35000-38-562 % similar Benzyl (triphenylphosphoranylidene)acetate15097-38-857 % similar 1-(Triphenylphosphoranylidene)-2-propanone1439-36-756 % similar Methyl cinnamate103-26-453 % similar 1-Phenyl-2-(triphenylphosphoranylidene)ethanone859-65-452 % similar Methyl formylphenylacetate5894-79-145 % similar Methyl alpha-phenylbenzeneacetate3469-00-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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