Di-tert-butylneopentylphosphine

Product Information

Molecular Formula:
C13H29P
Molecular Weight:
216.34
Description
Reactant for: • Highly active palladium complexes• Synthesis of organometallic compounds of iridium and rhodiumLigand for cross coupling of aryl bromides and chlorides
Synonyms
Bis(1,1-dimethylethyl)(2,2-dimethylpropyl)phosphine
IUPAC Name
ditert-butyl(2,2-dimethylpropyl)phosphane
Canonical SMILES
CC(C)(C)CP(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C13H29P/c1-11(2,3)10-14(12(4,5)6)13(7,8)9/h10H2,1-9H3
InChI Key
JBGICSFDKZAWFJ-UHFFFAOYSA-N
Boiling Point
40 °C/0.1 mmHg
Flash Point
Not applicable
Purity
95%
Density
0.839 g/mL at 25 °C
Storage
−20°C
Refractive Index
n20/D 1.478

Safety Information

Hazards
H250 - H302 - H312 - H314
Precautionary Statement
P222 - P231 - P280 - P305 + P351 + P338 - P310 - P422

Computed Properties

XLogP3
3.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
4
Exact Mass
216.200687923 g/mol
Monoisotopic Mass
216.200687923 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
159
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
KR-20220022349-A (ALKYL)ARENES AND A Method for Producing the Same 2020-08-18
KR-20210101082-A (arylmethyl)arenes and a production process thereof 2020-02-07
KR-102331357-B1 (arylmethyl)arenes and a production process thereof 2020-02-07
CN-110981692-A Method and system for co-producing isononyl alcohol and carbon octaalkane 2019-12-25
KR-20210079688-A Allylarenes and a Method for Producing the Same 2019-12-20
US-2021188739-A1 Method for producing arene compounds and arene compounds produced by the same 2019-12-20
KR-102346347-B1 Allylarenes and a Method for Producing the Same 2019-12-20
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
WO-2021083438-A1 Inhibitors of purine nucleoside phosphorylase - synthesis and use thereof for treatment of t-cell acute lymphoblastic leukemia and lymphoma 2019-10-30
WO-2020152200-A1 Process for preparation of heteroarylketones 2019-01-25

Literatures

PMID Publication Date Title Journal
20806983 2010-10-01 Synthesis and X-ray structure determination of highly active Pd(II), Pd(I), and Pd(0) complexes of di(tert-butyl)neopentylphosphine (DTBNpP) in the arylation of amines and ketones The Journal of organic chemistry
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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