Tri(o-tolyl)phosphine - CAS 6163-58-2
Catalog: |
BB031205 |
Product Name: |
Tri(o-tolyl)phosphine |
CAS: |
6163-58-2 |
Synonyms: |
tris(2-methylphenyl)phosphine; tris(2-methylphenyl)phosphane |
IUPAC Name: | tris(2-methylphenyl)phosphane |
Description: | Ligand used in a ruthenium-catalyzed direct amination of alcohols. |
Molecular Weight: | 304.37 |
Molecular Formula: | C21H21P |
Canonical SMILES: | CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C |
InChI: | InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3 |
InChI Key: | COIOYMYWGDAQPM-UHFFFAOYSA-N |
Melting Point: | 123-125 °C (lit.) |
Purity: | 97 % |
Appearance: | Beige crystalline solid |
MDL: | MFCD00008514 |
LogP: | 4.37000 |
GHS Hazard Statement: | H315 (97.03%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22829528 | 20120903 | Effects of phosphorus substituents on reactions of α-alkoxyphosphonium salts with nucleophiles | Chemistry (Weinheim an der Bergstrasse, Germany) |
22618248 | 20120707 | Mechanochemical and solution synthesis, X-ray structure and IR and 31P solid state NMR spectroscopic studies of copper(I) thiocyanate adducts with bulky monodentate tertiary phosphine ligands | Dalton transactions (Cambridge, England : 2003) |
22199491 | 20111201 | trans-Carbonyl-chloridobis(tri-o-tolyl-phosphane-κP)rhodium(I) | Acta crystallographica. Section E, Structure reports online |
21863787 | 20111007 | Palladium-catalyzed cross-coupling of sterically demanding boronic acids with α-bromocarbonyl compounds | The Journal of organic chemistry |
21364596 | 20110401 | Synthesis and antibacterial activity of 2, 3-dehydro-3-O-(3-aryl-E-prop-2-enyl)-10, 11-anhydroclarithromycin derivatives | The Journal of antibiotics |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.138087668 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.138087668 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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