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
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 |
