Home > Compound List > Compound details
7688-25-7 molecular structure
click picture or here to close

[4-(diphenylphosphanyl)butyl]diphenylphosphane

ChemBase ID: 70578
Molecular Formular: C28H28P2
Molecular Mass: 426.469442
Monoisotopic Mass: 426.16662416
SMILES and InChIs

SMILES:
C(CCCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Canonical SMILES:
C(CP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
InChIKey:
BCJVBDBJSMFBRW-UHFFFAOYSA-N

Cite this record

CBID:70578 http://www.chembase.cn/molecule-70578.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(diphenylphosphanyl)butyl]diphenylphosphane
IUPAC Traditional name
[4-(diphenylphosphanyl)butyl]diphenylphosphane
Synonyms
1,4-Bis(diphenylphosphino)butane
[4-(diphenylphosphanyl)butyl]diphenylphosphane
1,4-Butanediylbis[diphenylphosphine]
1,4-Butylenebis(diphenylphosphine)
Tetramethylenebis(diphenylphosphine)
dppb
1,4-Bis(diphenylphosphino)butane
1,4-双(联苯基膦)丁烷
1,4-双(二苯基膦)丁烷
CAS Number
7688-25-7
EC Number
231-698-7
MDL Number
MFCD00003051
Beilstein Number
706446
PubChem SID
24848876
24855845
162036293
PubChem CID
82124

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.6054  LogD (pH = 7.4) 7.6054 
Log P 7.6054  Molar Refractivity 131.0348 cm3
Polarizability 52.058743 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
132-136 °C(lit.) expand Show data source
132-136°C expand Show data source
Hydrophobicity(logP)
7.916 expand Show data source
Ligand For
Alkylations expand Show data source
Heck Reaction expand Show data source
Isomerizations expand Show data source
Negishi Coupling expand Show data source
Sonogashira Coupling expand Show data source
Stille Coupling expand Show data source
Suzuki-Miyaura Coupling expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
36/37/38 expand Show data source
36/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H413 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (TLC) expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C6H5)2P(CH2)4P(C6H5)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05220505 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 261947 external link
Packaging
5, 25 g in glass bottle
Application
Employed as a ligand in Pd(0)-catalyzed acylcyanation of arylacetylenes1 and deprotection of allyloxycarbamates.2
Sigma Aldrich - 14805 external link
Other Notes
Diphosphine used in organometallic chemistry1,2,3,4,5

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Chelating ligand.
  • • Component of a chiral Rh-based homogeneous hydrogenation catalyst: Org. Synth. Coll., 8, 16 (1993).
  • • The PdCl 2 complex catalyzes the Suzuki coupling of heteroaryl chlorides with boronic acids with reported advantages over other catalysts: Tetrahedron Lett ., 32, 2273 (1991); Tetrahedron, 48, 8117 (1992).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle