Triphenylcarbethoxymethylenephosphorane

C₂₂H₂₁O₂PCAS 1099-45-2348.38 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H300 Fatal if swallowed20% of notifiers
H301 Toxic if swallowed40% of notifiers
H315 Causes skin irritation40% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation40% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure20% of notifiers
H411 Toxic to aquatic life with long lasting effects20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

Weigh it out

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

Benzyl (triphenylphosphoranylidene)acetate15097-38-866 % similar Carbomethoxymethylenetriphenylphosphorane2605-67-662 % similar Ethyl cinnamate103-36-657 % similar tert-Butyl (triphenylphosphoranylidene) acetate35000-38-557 % similar 1-(Triphenylphosphoranylidene)-2-propanone1439-36-756 % similar Ethyl (2E)-4-oxo-4-phenyl-2-butenoate15121-89-854 % similar Ethyl (2E)-4-oxo-4-phenyl-2-butenoate17450-56-554 % similar (Carbethoxyethylidene)triphenylphosphorane5717-37-350 % 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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