2'-(Di-tert-butylphosphino)acetophenone ethylene ketal

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Product Information

Molecular Formula:
C18H29O2P
Molecular Weight:
308.40
Description
2'-(Di-tert-butylphosphino)acetophenone ethylene ketal, in the realm of oncology research, is a biochemical compound of significance. Operating as an intermediate in the complex synthesis of an array of anti-cancer drugs, it aid in targeting an assortment of cancer cell lines, thereby facilitating efficacy in therapeutic endeavors.
Synonyms
2-(2-Di-tert-butylphosphinophenyl)-2-methyl-1,3-dioxolane,Bis(1,1-dimethylethyl)[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-phosphine
IUPAC Name
ditert-butyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane
Canonical SMILES
CC1(OCCO1)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C18H29O2P/c1-16(2,3)21(17(4,5)6)15-11-9-8-10-14(15)18(7)19-12-13-20-18/h8-11H,12-13H2,1-7H3
InChI Key
QXUUTILKIBBBDF-UHFFFAOYSA-N
Melting Point
85-89 °C
Purity
97%

Safety Information

Hazards
H413

Computed Properties

XLogP3
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
308.19051716 g/mol
Monoisotopic Mass
308.19051716 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
333
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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