Di-1-adamantylphosphine

Product Information

Molecular Formula:
C20H31P
Molecular Weight:
302.43
Description
Di-1-adamantylphosphine (CAS# 131211-27-3 ) is a useful research chemical.
Synonyms
Di(adamantan-1-yl)phosphine; Phosphine, bis(tricyclo[3.3.1.13,7]dec-1-yl)-
IUPAC Name
bis(1-adamantyl)phosphane
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)PC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C20H31P/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18,21H,1-12H2
InChI Key
RRRZOLBZYZWQBZ-UHFFFAOYSA-N
Melting Point
181-185 °C
Flash Point
Not applicable
Purity
95 %

Safety Information

Hazards
H301 + H311 + H331 - H315 - H319 - H335
Precautionary Statement
P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338

QC Data

Computed Properties

XLogP3
5.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
302.216337987 g/mol
Monoisotopic Mass
302.216337987 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
340
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

Patents

Publication Number Title Priority Date
CN-113999262-A Preparation method of di (1-adamantyl) cycloalkylphosphine ligand 2021-12-31
CN-114181048-A Preparation method of high-yield 4-fluorodiphenol 2021-12-20
WO-2021214612-A1 Cyclopentadienyl/adamantyl phosphinimine zirconium and hafnium complexes 2020-04-21
WO-2021214629-A1 Cyclopentadienyl/adamantyl phosphinimine titanium complexes 2020-04-21
CZ-2019667-A3 Purine nucleoside phosphorylase inhibitors, their preparation and use in the treatment of T-cell acute lymphoblastic leukemia and lymphomas 2019-10-30
TW-202128684-A Bicyclic amines as cdk2 inhibitors 2019-10-11
WO-2020241730-A1 Arylamine compound and use thereof 2019-05-31
TW-202108738-A Arylamine compounds and their utilization 2019-05-31
CN-113874352-A Arylamine compound and use thereof 2019-05-31
KR-20220016122-A Arylamine compounds and their use 2019-05-31
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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