1-Carbethoxycyclopropyltriphenylphosphonium tetrafluoroborate

C₂₄H₂₄BF₄O₂PCAS 52186-89-7462.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₂₄BF₄O₂P
Molar mass: 462.23 g/mol
Exact mass: 462.1543 Da
logP: 5.38Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

52186-89-7

SMILES

[B-](F)(F)(F)F.CCOC(=O)C1(CC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChIKey

RGJYRMUGSAFITK-UHFFFAOYSA-N

InChI

InChI=1S/C24H24O2P.BF4/c1-2-26-23(25)24(18-19-24)27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;2-1(3,4)5/h3-17H,2,18-19H2,1H3;/q+1;-1

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Names and synonyms

1 names

(1-(Ethoxycarbonyl)cyclopropyl)triphenylphosphonium tetrafluoroborate

Work with 1-Carbethoxycyclopropyltriphenylphosphonium tetrafluoroborate

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

(Alpha,alpha-difluoro)phenylacetic acid ethyl ester2248-46-648 % similar Ethyl 2-phenylisobutyrate2901-13-546 % similar Ethyl benzilate52182-15-745 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-845 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-545 % similar (Ethoxycarbonylmethyl)triphenylphosphonium bromide1530-45-643 % similar [(Ethoxycarbonyl)methyl]triphenylphosphonium chloride17577-28-543 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-841 % similar

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

Elsewhere

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