4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.1)heptane

Base Information

• Chemical Name: 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.1)heptane
• CAS No.: 61580-09-4
• Molecular Formula: C₄H₇O₃P
• Molecular Weight: 134.072
• DSSTox Substance ID: DTXSID60210587
• Nikkaji Number: J3.062.533A
• Mol file: 61580-09-4.mol

Synonyms:4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.1)heptane;61580-09-4;4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.1]heptane;DTXSID60210587;2,6,7-Trioxa-1-phosphabicyclo[2.2.1]heptane, 4-methyl-

Chemical Property of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.1)heptane

Chemical Property:

• Vapor Pressure: 56.3mmHg at 25°C
• Boiling Point: 93.4°C at 760 mmHg
• Flash Point: 2.2°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 134.01328108
• Heavy Atom Count: 8
• Complexity: 108

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12COP(O1)OC2

Technology Process of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.1)heptane

There total 2 articles about 4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.1)heptane 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:

2-methylpropane-1,2,3-triol (25245-58-3) → 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane (61580-09-4)

Guidance literature:

DOI:10.1021/ja00450a009

Reference yield:

C4H7O3P*H(1+) → 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane (61580-09-4)

Guidance literature:

With tetrahydrofuran; Equilibrium constant; Thermodynamic data; Ambient temperature; ΔG, ΔH;

DOI:10.1021/ja00523a006

Reference yield: 19.5%

(hydrotris(pyrazol-1-yl)borato)bis(triphenylphosphane)chlororuthenium(II) + 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2,2,1]heptane (61580-09-4) → chloro(hydrotris(pyrazolyl)borato)(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.1]heptane)(triphenylphosphane)ruthenium(II) - dichloromethane (1/1)

Guidance literature:

In benzene; under N2, Schlenk techniques; soln. of ligand in C6H6 added to Ru complex; mixt. refluxed for 3 h; filtered; filtrate evapd. (vac.); solid dissolved (THF); hexane added; solid sped.; dried (vac.); dissolved in CH2Cl2; loaded on silica column; washed (hexane); eluted (Et2O); eluent collected; concd. (vac.); hexane added; ppt. dried (vac.); elem. anal.;

DOI:10.1021/ic300109b

upstream raw materials:

2-methylpropane-1,2,3-triol

Refernces