Home > Compound List > Compound details
657408-07-6 molecular structure
click picture or here to close

dicyclohexyl[2-(2,6-dimethoxyphenyl)phenyl]phosphane

ChemBase ID: 69243
Molecular Formular: C26H35O2P
Molecular Mass: 410.528661
Monoisotopic Mass: 410.23746699
SMILES and InChIs

SMILES:
P(c1c(cccc1)c1c(cccc1OC)OC)(C1CCCCC1)C1CCCCC1
Canonical SMILES:
COc1cccc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)OC
InChI:
InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3
InChIKey:
VNFWTIYUKDMAOP-UHFFFAOYSA-N

Cite this record

CBID:69243 http://www.chembase.cn/molecule-69243.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicyclohexyl[2-(2,6-dimethoxyphenyl)phenyl]phosphane
IUPAC Traditional name
sphos
dicyclohexyl[2-(2,6-dimethoxyphenyl)phenyl]phosphane
Synonyms
SPhos
SPhos
2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl
Dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine
2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl impregnated tablets
S-Phos impregnated tablets
ChemDose™, S-Phos tablets
S-Phos, ChemDose™ tablets
2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
2-双环己基膦-2′,6′-二甲氧基联苯
2-二环己基膦-2′,6′-二甲氧基联苯浸渍片
S-Phos 浸渍片
ChemDose™,S-Phos 片
S-Phos,ChemDose™ 片
CAS Number
657408-07-6
MDL Number
MFCD05861611
PubChem SID
162034971
24882907
PubChem CID
11269872
Chemspider ID
9444883
Wikipedia Title
SPhos

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.0310125  LogD (pH = 7.4) 6.242745 
Log P 6.3074  Molar Refractivity 122.0603 cm3
Polarizability 49.74943 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
organic solvents expand Show data source
Apperance
colorless solid expand Show data source
Melting Point
164-166 °C expand Show data source
164-166 °C(lit.) expand Show data source
Ligand For
Buchwald-Hartwig Cross Coupling Reaction expand Show data source
Heck Reaction expand Show data source
Kumada Coupling expand Show data source
Negishi Coupling expand Show data source
Suzuki-Miyaura Coupling expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
Risk Statements
40 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H351 expand Show data source
GHS Precautionary statements
P281 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Matrix
Magnesium aluminometasilicate base material expand Show data source
Empirical Formula (Hill Notation)
C26H35O2P expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 638072 external link
Application
Highly universal ligand for Suzuki-Miyaura coupling; aryl chlorides, hindered biaryls, heterobiaryls.
Utilized in conjunction with palladium to form a highly active catalyst for C-N bond formation.1
Packaging
1, 5, 25, 100 g in glass bottle
Legal Information
Usage subject to US Patents 6307087 and 6395916.
Sigma Aldrich - 685585 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Legal Information
Covered by International Patent Application No. PCT/DK05/00428 and related patent applications, including European Patent Application No. 05753717.7.
ChemDose is a trademark of Reaxa Ltd.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle