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85417-41-0 molecular structure
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tris(2,6-dimethoxyphenyl)phosphane

ChemBase ID: 145259
Molecular Formular: C24H27O6P
Molecular Mass: 442.441341
Monoisotopic Mass: 442.15452521
SMILES and InChIs

SMILES:
COc1cccc(c1P(c1c(cccc1OC)OC)c1c(cccc1OC)OC)OC
Canonical SMILES:
COc1cccc(c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC)OC
InChI:
InChI=1S/C24H27O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h7-15H,1-6H3
InChIKey:
CMLWFCUAXGSMBB-UHFFFAOYSA-N

Cite this record

CBID:145259 http://www.chembase.cn/molecule-145259.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2,6-dimethoxyphenyl)phosphane
IUPAC Traditional name
tris(2,6-dimethoxyphenyl)phosphane
Synonyms
DMPP
Tris(2,6-dimethoxyphenyl)phosphine
TDMPP
三(2,6-二甲氧基苯)膦
三(2,6-二甲氧基苯基)磷
CAS Number
85417-41-0
EC Number
000-000-0
MDL Number
MFCD00192558
PubChem SID
162239467
24864518
PubChem CID
2734597

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2734597 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5904  LogD (pH = 7.4) 3.5904 
Log P 3.5904  Molar Refractivity 120.4021 cm3
Polarizability 47.338394 Å3 Polar Surface Area 55.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145-147 °C(lit.) expand Show data source
145-147°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
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
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Linear Formula
[(CH3O)2C6H3]3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 393436 external link
Packaging
5 g in glass bottle
Application
Catalyst for:
• Preparation of chiral building blocks via hydroalkynylation reactions or ynolates1
• Three-component aza-Morita-Baylis-Hillman reactions (aza-MBH)2
• Atom-economic synthesis of nitrogen heterocycles and ynenoates from alkynes3
• Oxycylizations of allendiols4
• Enantioselective aldol reactions5
• Pd-mediated cross-coupling, Pd- and Cu-mediated benzannulation reactions and copper-mediated dimerization reactions6

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Preferred ligand employed by Trost in directed tandem Pd-catalyzed reactions as an approach to furans and butenolides: J. Am. Chem. Soc., 117, 7255 (1995).
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PATENTS

PATENTS

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INTERNET

INTERNET

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