tert-Butyl (triphenylphosphoranylidene) acetate

C₂₄H₂₅O₂PCAS 35000-38-5376.44 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₂₄H₂₅O₂P
Molar mass: 376.44 g/mol
Exact mass: 376.1592 Da
Melting point: 158 °C
logP: 4.12Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

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

Identifiers

CAS number

35000-38-5

SMILES

CC(C)(C)OC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

InChIKey

ZWZUFQPXYVYAFO-UHFFFAOYSA-N

InChI

InChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3

Weigh it out

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

Names and synonyms

14 names · show all

(tert-Butoxycarbonylmethylene)triphenylphosphorane
Acetic acid, 2-(triphenylphosphoranylidene)-, 1,1-dimethylethyl ester
Acetic acid, (triphenylphosphoranylidene)-, 1,1-dimethylethyl ester
1,1-Dimethylethyl (triphenylphosphoranylidene)acetate
tert-Butyl (triphenylphosphoranylidene)acetate
Triphenyl(tert-butoxycarbonylmethylene)phosphorane
(Triphenylphosphoranylidene)acetic acid tert-butyl ester
(tert-Butoxycarbonylmethylene)triphenylphosphoran
NSC 82469
(Triphenyl-λ5-phosphanylidene)acetic acid tert-butyl ester
tert-Butyl 2-(triphenylphosphoranylidene)acetate
1,1-Dimethylethyl 2-(triphenyl-λ5-phosphanylidene)acetate
tert-Butyl triphenylphosphoranylidenacetate
tert-Butyl 2-(triphenylphosphaneylidene)acetate

Work with tert-Butyl (triphenylphosphoranylidene) acetate

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 Triphenylcarbethoxymethylenephosphorane1099-45-257 % similar Benzyl (triphenylphosphoranylidene)acetate15097-38-853 % similar 1-(Triphenylphosphoranylidene)-2-propanone1439-36-751 % similar N-Boc-imino-(triphenyl)phosphorane68014-21-151 % similar 1-Phenyl-2-(triphenylphosphoranylidene)ethanone859-65-447 % similar tert-Butyl phenyl carbonate6627-89-045 % similar t-Butyl carbanilate3422-01-344 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook