chempirical

(tert-Butoxycarbonylmethyl)triphenylphosphonium chloride

C24H26ClO2PCAS 35000-37-4412.89 g/mol

Open in Covalent MOL file
OOP+Cl−
Ester

Properties

Molecular formula
C24H26ClO2P
Molar mass
412.89 g/mol
Exact mass
412.1359 Da
Melting point
172–173 °C
logP
1.33Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
35000-37-4
SMILES
CC(C)(C)OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
PWEGQXPODNSKMU-UHFFFAOYSA-M
InChI
InChI=1S/C24H26O2P.ClH/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;/h4-18H,19H2,1-3H3;1H/q+1;/p-1

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

Names and synonyms

3 names
  • Phosphonium, [2-(1,1-dimethylethoxy)-2-oxoethyl]triphenyl-, chloride (1:1)
  • Phosphonium, [2-(1,1-dimethylethoxy)-2-oxoethyl]triphenyl-, chloride
  • (Carboxymethyl)triphenylphosphonium chloride, tert-butyl ester

Work with (tert-Butoxycarbonylmethyl)triphenylphosphonium chloride

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

(Methoxycarbonylmethyl)triphenylphosphonium chloride2181-97-766 % similar [(Ethoxycarbonyl)methyl]triphenylphosphonium chloride17577-28-563 % similar Acetonyltriphenylphosphonium chloride1235-21-854 % similar [(Methoxycarbonyl)methyl]triphenylphosphonium bromide1779-58-454 % similar (Carboxymethyl)triphenylphosphonium bromide ethyl ester1530-45-651 % similar Acetonyltriphenylphosphonium bromide2236-01-343 % similar (Methoxymethyl)triphenylphosphonium chloride4009-98-743 % similar Ethyltriphenylphosphonium chloride896-33-342 % similar

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

Elsewhere

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