3,6-Bis(diethoxyphosphoryl)benzene-1,2-diol

Base Information

• Chemical Name: 3,6-Bis(diethoxyphosphoryl)benzene-1,2-diol
• CAS No.: 91633-17-9
• Molecular Formula: C₁₄H₂₄O₈P₂
• Molecular Weight: 382.287
• DSSTox Substance ID: DTXSID701160646
• Mol file: 91633-17-9.mol

Synonyms:91633-17-9;3,6-Bis(diethoxyphosphoryl)benzene-1,2-diol;Phosphonic acid, (2,3-dihydroxy-1,4-phenylene)bis-, tetraethyl ester;DTXSID701160646;AKOS037622051

Chemical Property of 3,6-Bis(diethoxyphosphoryl)benzene-1,2-diol

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 382.09464171
• Heavy Atom Count: 24
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(C1=C(C(=C(C=C1)P(=O)(OCC)OCC)O)O)OCC

Technology Process of 3,6-Bis(diethoxyphosphoryl)benzene-1,2-diol

There total 1 articles about 3,6-Bis(diethoxyphosphoryl)benzene-1,2-diol 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: 66.5%

Tetraethyl 1,2-phenylene bis(phosphate) (37521-98-5) → Tetraethyl (2,3-dihydroxy-1,4-phenylene)bis(phosphonate) (91633-17-9)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h; Cooling with acetone-dry ice;

DOI:10.1002/anie.201310867

Reference yield: 17.7%

Tetraethyl (2,3-dihydroxy-1,4-phenylene)bis(phosphonate) (91633-17-9) → (2,3-Dihydroxy-1,4-phenylene)bis(phosphonic acid) (91633-18-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; Heating;

DOI:10.1021/jo00195a029

upstream raw materials:

Tetraethyl 1,2-phenylene bis(phosphate)

Downstream raw materials:

(2,3-Dihydroxy-1,4-phenylene)bis(phosphonic acid)