1-Ethoxy-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide

Base Information

• Chemical Name: 1-Ethoxy-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide
• CAS No.: 1005-95-4
• Molecular Formula: C8H15O2P
• Molecular Weight: 174.18
• DSSTox Substance ID: DTXSID401264067
• Nikkaji Number: J2.256.800K
• Mol file: 1005-95-4.mol

Synonyms:1005-95-4;DTXSID401264067;1-Ethoxy-3,4-dimethyl-3-phospholene 1-oxide;2,5-Dihydro-1-ethoxy-3,4-dimethyl-1H-phosphole 1-oxide

Chemical Property of 1-Ethoxy-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.08096671
• Heavy Atom Count: 11
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP1(=O)CC(=C(C1)C)C

Technology Process of 1-Ethoxy-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide

There total 3 articles about 1-Ethoxy-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 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:

1-(NN-dimethylamino)-3,4-dimethyl-Δ3-phospholen (82217-34-3) → 1-ethoxy-3,4-dimethyl-2,3-dihydro-1H-phosphole 1-oxide (699-63-8) + 1-(NN-dimethylamino)-3,4-dimethyl-Δ3-phospholen oxide (95932-62-0) + 1-ethoxy-3,4-dimethyl-Δ3-phospholen oxide (1005-95-4) + triethyl phosphite (122-52-1)

Guidance literature:

With diethyl peroxide; In [D₃]acetonitrile; Further byproducts given; Ambient temperature;

DOI:10.1039/P29820000205

Reference yield:

diethyl peroxide (628-37-5) + 1-(NN-dimethylamino)-3,4-dimethyl-Δ3-phospholen (82217-34-3) → 1-ethoxy-3,4-dimethyl-2,3-dihydro-1H-phosphole 1-oxide (699-63-8) + 1-(NN-dimethylamino)-3,4-dimethyl-Δ3-phospholen oxide (95932-62-0) + 1,1,1-Triethoxy-3,4-dimethyl-2,3-dihydro-1H-1λ5-phosphole + 1-ethoxy-3,4-dimethyl-Δ3-phospholen oxide (1005-95-4) + triethyl phosphite (122-52-1)

Guidance literature:

In [D₃]acetonitrile; Rate constant; Product distribution; Ambient temperature;

DOI:10.1039/P29820000205

Reference yield:

diethyl peroxide (628-37-5) + 1-ethoxy-3,4-dimethyl-Δ3-phospholen (82217-37-6) → penthaethoxyphosphorane (7735-87-7) + 1-ethoxy-3,4-dimethyl-2,3-dihydro-1H-phosphole 1-oxide (699-63-8) + 1,1,1-Triethoxy-3,4-dimethyl-2,5-dihydro-1H-1λ5-phosphole + 1,1,1-Triethoxy-3,4-dimethyl-2,3-dihydro-1H-1λ5-phosphole + 1-ethoxy-3,4-dimethyl-Δ3-phospholen oxide (1005-95-4) + triethyl phosphite (122-52-1)

Guidance literature:

In [D₃]acetonitrile; Rate constant; Product distribution;

DOI:10.1039/P29820000205

upstream raw materials:

diethyl peroxide

1-(NN-dimethylamino)-3,4-dimethyl-Δ³-phospholen

1-ethoxy-3,4-dimethyl-Δ³-phospholen

Downstream raw materials:

N-[(1-ethoxy-3,4-dimethyl-1-oxo-2,5-dihydro-1H-1λ⁵-phosphol-2-yl)-phenyl-methyl]-aniline

(1-ethoxy-3,4-dimethyl-1-oxo-2,3-dihydro-1H-1λ⁵-phosphol-3-yl)-phenyl-methanol

1-(1-ethoxy-3,4-dimethyl-1-oxo-2,5-dihydro-1H-1λ⁵-phosphol-2-yl)-2-phenyl-ethanone

1-(1-ethoxy-3,4-dimethyl-1-oxo-2,5-dihydro-1H-1λ⁵-phosphol-2-yl)-1-phenyl-ethanol

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