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

Base Information

• Chemical Name: 3-Methyl-1-phenyl-2-phospholene 1-oxide
• CAS No.: 707-61-9
• Deprecated CAS: 90408-79-0
• Molecular Formula: C11H13 O P
• Molecular Weight: 192.197
• Hs Code.: 2934999090
• European Community (EC) Number: 211-901-5
• NSC Number: 616243,107634
• DSSTox Substance ID: DTXSID0051497
• Nikkaji Number: J193.075C,J2.123.545H
• ChEMBL ID: CHEMBL1256413
• Mol file: 707-61-9.mol

Synonyms:707-61-9;3-Methyl-1-phenyl-2-phospholene 1-oxide;3-Methyl-1-phenyl-2-phospholene-1-oxide;2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide;4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide;1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide;2-Phospholene, 3-methyl-1-phenyl-, 1-oxide;4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide;EINECS 211-901-5;NSC 107634;BRN 0609223;2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole, 1-oxide;DTXSID0051497;NSC616243;NSC107634;2-Phospholene, 1-oxide;SCHEMBL439704;4,5-Dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide;CHEMBL1256413;DTXCID8031025;4-methyl-1-phenyl-2,3-dihydro-1$l^{5}-phosphole 1-oxide;Tox21_303982;MFCD00014518;AKOS015888389;1-phenyl-3-methyl-phospholene-1-oxide;3-methyl-1-phenyl-2-phospholene oxide;NSC-107634;NSC-616243;NCGC00357206-01;1-phenyl-3-methyl-2-phospholene-1-oxide;3-methyl-l-phenyl-2-phospholene-1-oxide;AS-66185;CAS-707-61-9;LS-106325;CS-0085694;FT-0616044;M0705;4-Methyl-1-phenyl-2,3-dihydrophosphol-1-one;D91377;4-methyl-1-phenyl-2,3-dihydrophosphole 1-oxide;4-Methyl-1-phenyl-2,3-dihydro-phosphole 1-oxide;1-Phenyl-3-methyl-4,5-dihydro-1H-phosphole-1-one;4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole1-oxide;1-Phenyl-3-methyl-4,5-dihydro-1H-phosphole 1-oxide;1H-Phosphole,3-dihydro-4-methyl-1-phenyl-, 1-oxide;4-methyl-1-phenyl-2,3-dihydro-1H-1??-phosphol-1-one;3-methyl-1-phenyl-1lambda5-phosphacyclopent-2-en 1-oxid;3-Methyl-1-phenyl-2-phospholene 1-oxide, 85%, technical grade;1-Oxo-3-methyl-1-phenyl-2-phospholene, 2,3-Dihydro-4-methyl-1-phenylphosphole 1-oxide, MPPO, NSC 107634

Chemical Property of 3-Methyl-1-phenyl-2-phospholene 1-oxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 58-62ºC
• Refractive Index: n20/D 1.5707(lit.)
• Boiling Point: 150 ºC.15 mm Hg(lit.)
• Flash Point: 113 ºC
• PSA: 26.88000
• Density: 1.11 g/cm³
• LogP: 2.98250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: Soluble in polar solvents.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 192.070402032
• Heavy Atom Count: 13
• Complexity: 261

Purity/Quality:

3-Methyl-1-phenyl-2-phospholine1-Oxide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-40
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CP(=O)(CC1)C2=CC=CC=C2
• Uses: 3-Methyl-1-phenyl-2-phospholene 1-oxide is used as a catalyst for intramolecular aza-wittig cyclization reactions and polymerization reactions. It is a reactant used for the preparation of phospha sugars and their radical bromination derivatives as anticancer agents.

Technology Process of 3-Methyl-1-phenyl-2-phospholene 1-oxide

There total 16 articles about 3-Methyl-1-phenyl-2-phospholene 1-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.1%

Dichlorophenylphosphine (644-97-3) + isoprene (78-79-5,9003-31-0) → 3-Methyl-1-phenyl-2-phospholene 1-oxide (707-61-9)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; In chloroform; at 65 ℃; for 24h; Inert atmosphere; Sealed tube; Large scale;

Reference yield: 81.0%

2,5-dihydro-3-methyl-1-phenyl-1H-phosphole 1-oxide (7564-51-4) → 3-Methyl-1-phenyl-2-phospholene 1-oxide (707-61-9)

Guidance literature:

With methanesulfonic acid; at 50 ℃; for 60h; Reagent/catalyst; Temperature;

DOI:10.3762/bjoc.16.75

Reference yield: 79.0%

P,P-dichlorophenylphosphine oxide (824-72-6) + isoprene (78-79-5,9003-31-0) → 3-Methyl-1-phenyl-2-phospholene 1-oxide (707-61-9)

Guidance literature:

at 20 ℃; for 504000h;

DOI:10.1016/S0008-6215(01)00264-6

upstream raw materials:

3-methyl-1-phenylphosphole

P,P-dichlorophenylphosphine oxide

isoprene

1-chloro-3-methyl-2-phospholene 1-oxide

Downstream raw materials:

3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-phosphole-1-oxide

3-Methyl-1-phenyl-4,5-dihydrophosphol

1-(3'-nitrophenyl)-3-methyl-2-phospholene 1-oxide

4-methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-sulfide

Refernces

• 1、 Bagi, Péter,Herbay, Réka,Keglevich, Gy?rgy,Mucsi, Zoltán,Péczka, Nikolett,Timári, István. "Preparation of 2-phospholene oxides by the isomerization of 3-phospholene oxides". . p. 818 - 832. Retrieved 2020/05/14.
• 2、 Herbay, Réka,Péczka, Nikolett,Gy?rke, Gábor,Bagi, Péter,Fogassy, Elemér,Keglevich, Gy?rgy. "Isomerization and application of phospholene oxides". . p. 610 - 613. Retrieved 2019/01/05.