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3-Methyl-1-phenyl-2-phospholene 1-oxide

Catalog Number
ACM707619
Product Name
3-Methyl-1-phenyl-2-phospholene 1-oxide
Structure
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CAS
707-61-9
  • Product Overview
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Synonyms
2,3-Dihydro-4-methyl-1-phenylphosphole 1-oxide; 1-Oxo-3-methyl-1-phenyl-2-phospholene; MPPO
IUPAC Name
4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide
Molecular Weight
192.19
Molecular Formula
C11H13OP
Canonical SMILES
CC1=CP(=O)(CC1)C2=CC=CC=C2;
InChI
YMKWWHFRGALXLE-UHFFFAOYSA-N
InChI Key
InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
Boiling Point
150 °C at 0.15 mmHg(lit.)
Melting Point
58-62 °C
Flash Point
>230 °F
Purity
95%+
Density
1.11±0.1 g/cm3(Predicted)
Appearance
Solid
Complexity
261
Covalently-Bonded Unit Count
1
EC Number
211-901-5
Exact Mass
192.07g/mol
H-Bond Acceptor
1
Heavy Atom Count
13
Isomeric SMILES
CC1=CP(=O)(CC1)C2=CC=CC=C2
Monoisotopic Mass
192.07g/mol
NSC Number
616243
Rotatable Bond Count
1
Topological Polar Surface Area
17.1A^2
Undefined Atom Stereocenter Count
1
Application
3-Methyl-1-phenyl-2-phospholene 1-oxide serves a crucial role in various chemical reactions, primarily utilized as a catalyst to facilitate intramolecular aza-Wittig cyclization and polymerization reactions. Additionally, it acts as a reactant in the synthesis of phospha sugars and their radical bromination derivatives, which hold potential as anticancer agents. This compound typically appears as white to yellow adhering crystals, signifying its unique physical properties and effectiveness in these specialized applications.
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