(Carbethoxyethylidene)triphenylphosphorane

C₂₃H₂₃O₂PCAS 5717-37-3362.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₃H₂₃O₂P
Molar mass: 362.41 g/mol
Exact mass: 362.1436 Da
Melting point: 156–157 °C
logP: 3.74Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H315 Causes skin irritation42.9% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled42.9% of notifiers
H335 May cause respiratory irritation57.1% of notifiers
H413 May cause long lasting harmful effects to aquatic life28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5717-37-3

SMILES

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

InChIKey

KZENFXVDPUMQOE-UHFFFAOYSA-N

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

Weigh it out

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

Names and synonyms

16 names · show all

Propanoic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
Propionic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
Ethyl 2-(triphenylphosphoranylidene)propionate
1-(Ethoxycarbonyl)ethylidenetriphenylphosphorane
Ethyl 2-(triphenylphosphoranylidene)propanoate
Triphenyl-α-ethoxycarbonylethylidenephosphorane
2-(Triphenylphosphoranylidene)propanoic acid ethyl ester
[α-(Ethoxycarbonyl)ethylidene]triphenylphosphorane
α-(Ethoxycarbonyl)ethylenetriphenylphosphorane
1-Carboethoxyethylidenetriphenylphosphorane
NSC 76468
Ethyl methyltriphenylphosphoranylideneacetate
(1-[Ethoxycarbonyl]ethylidene)triphenylphosphoran
((Ethoxycarbonyl)ethylidene)triphenylphosphorane
Ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate
2-(Triphenyl-λ*5*-phosphanylidene)-propionic acid ethyl ester

Work with (Carbethoxyethylidene)triphenylphosphorane

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

Ethyl benzoylformate1603-79-853 % similar Triphenylcarbethoxymethylenephosphorane1099-45-250 % similar Diethyl benzylidenemalonate5292-53-550 % similar Ethyl oxanilate1457-85-849 % similar Ethyl alpha-oxobenzenebutanoate64920-29-249 % similar Ethyl 2-cyano-3,3-diphenylacrylate5232-99-545 % similar Ethyl N,N-diphenylcarbamate603-52-145 % similar Ethyl benzoate93-89-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook