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

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

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Catalog Number

ACM707619

Product Name

Structure

CAS

707-61-9

Product Overview
Usage

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

EC Number

211-901-5

Exact Mass

192.07g/mol

H-Bond Acceptor

Heavy Atom Count

Isomeric SMILES

CC1=CP(=O)(CC1)C2=CC=CC=C2

Monoisotopic Mass

192.07g/mol

NSC Number

616243

Rotatable Bond Count

Topological Polar Surface Area

17.1A^2

Undefined Atom Stereocenter Count

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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CAS
Size
Purity
Price
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707-61-9
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95%+
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