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Tris(4-methoxy-3,5-dimethylphenyl)phosphine
Catalog Number
ACM121898644
Product Name
Tris(4-methoxy-3,5-dimethylphenyl)phosphine
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/121898-64-4.gif)
CAS
121898-64-4
Synonyms
Tris(3,5-Dimethyl-4-Methoxy)Phosphine
IUPAC Name
tris(4-methoxy-3,5-dimethylphenyl)phosphane
Molecular Weight
436.52
Molecular Formula
C27H33O3P
Canonical SMILES
CC1=CC(=CC(=C1OC)C)P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C;
InChI
BDGUINGZRGNLPD-UHFFFAOYSA-N
InChI Key
InChI=1S/C27H33O3P/c1-16-10-22(11-17(2)25(16)28-7)31(23-12-18(3)26(29-8)19(4)13-23)24-14-20(5)27(30-9)21(6)15-24/h10-15H,1-9H3
Boiling Point
539.3±50.0 °C(Predicted)
Melting Point
174-179 °C
Purity
98%
Appearance
Solid
Complexity
445
Covalently-Bonded Unit Count
1
Exact Mass
436.217g/mol
H-Bond Acceptor
3
Heavy Atom Count
31
Isomeric SMILES
CC1=CC(=CC(=C1OC)C)P(C2=CC(=C(C(=C2)C)OC)C)C3=CC(=C(C(=C3)C)OC)C
Monoisotopic Mass
436.217g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
27.7A^2
Application
Tris(4-methoxy-3,5-dimethylphenyl)phosphine serves as an essential catalyst in the carbocyanation of alkynes, a chemical reaction that facilitates the formation of carbon-carbon bonds. This process is fundamental in organic synthesis, allowing for the efficient and selective construction of complex molecular structures through the addition of carbon groups to alkyne substrates.
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