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247940-06-3 molecular structure
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dicyclohexyl(2-phenylphenyl)phosphane

ChemBase ID: 10386
Molecular Formular: C24H31P
Molecular Mass: 350.476701
Monoisotopic Mass: 350.21633762
SMILES and InChIs

SMILES:
c1(c2ccccc2)c(cccc1)P(C1CCCCC1)C1CCCCC1
Canonical SMILES:
C1CCC(CC1)P(c1ccccc1c1ccccc1)C1CCCCC1
InChI:
InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
InChIKey:
LCSNDSFWVKMJCT-UHFFFAOYSA-N

Cite this record

CBID:10386 http://www.chembase.cn/molecule-10386.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicyclohexyl(2-phenylphenyl)phosphane
IUPAC Traditional name
dicyclohexyl(2-phenylphenyl)phosphane
Synonyms
2-(Dicyclohexylphosphino)biphenyl
Cyclohexyl JohnPhos
2-(Dicyclohexylphosphino)biphenyl
(2-Biphenyl)dicyclohexylphosphine
2-(Dicyclohexylphosphino)biphenyl
2-(二环己基膦基)联苯
2-(二环己基膦基)联苯
(2-联苯)二环己基膦
CAS Number
247940-06-3
MDL Number
MFCD01862441
Beilstein Number
8440533
PubChem SID
160973693
24890066
24882909
PubChem CID
2734216

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.338831  LogD (pH = 7.4) 6.54399 
Log P 6.8128  Molar Refractivity 109.1339 cm3
Polarizability 44.812023 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102-106 °C(lit.) expand Show data source
103°C expand Show data source
Ligand For
Arylations expand Show data source
Buchwald-Hartwig Cross Coupling Reaction expand Show data source
C-X Bond Formation expand Show data source
Hiyama Coupling expand Show data source
Methylations expand Show data source
Negishi Coupling expand Show data source
Oxidations expand Show data source
Suzuki-Miyaura Coupling expand Show data source
Storage Warning
AIR SENSITIVE expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
GHS Hazard statements
H413 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
puriss. expand Show data source
Empirical Formula (Hill Notation)
C24H31P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 638099 external link
Application
Ligand employed in the palladium-catalysed synthesis of 1,3,5-tris(2′-aminophenyl)benzene, a core building block for potential ionic receptors.1
Ligand for amination of aryl halides and triflates.
Packaging
1, 5, 25, 100 g in glass bottle
Legal Information
Usage subject to US Patents 6307087 and 6395916.
Sigma Aldrich - 94859 external link
Application
Ligand for amination of aryl halides and triflates.1
Other Notes
Optimal ligand for a novel amination reaction (Buchwald reaction)2
Legal Information
Usage subject to US Patents 6307087 and 6395916.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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