4,8-Dioxatricyclo[5.1.0.0~3,5~]octan-2-ol

Base Information

• Chemical Name: 4,8-Dioxatricyclo[5.1.0.0~3,5~]octan-2-ol
• CAS No.: 261919-41-9
• Molecular Formula: C₆H₈O₃
• Molecular Weight: 128.128
• DSSTox Substance ID: DTXSID80550270
• Mol file: 261919-41-9.mol

Synonyms:261919-41-9;4,8-Dioxatricyclo[5.1.0.0~3,5~]octan-2-ol;DTXSID80550270

Chemical Property of 4,8-Dioxatricyclo[5.1.0.0~3,5~]octan-2-ol

Chemical Property:

• Boiling Point: 294.1±35.0 °C(Predicted)
• PKA: 13.70±0.20(Predicted)
• PSA: 45.29000
• Density: 1.542±0.06 g/cm3(Predicted)
• LogP: -0.71420
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.047344113
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(O2)C(C3C1O3)O

Technology Process of 4,8-Dioxatricyclo[5.1.0.0~3,5~]octan-2-ol

There total 10 articles about 4,8-Dioxatricyclo[5.1.0.0~3,5~]octan-2-ol 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: 99.0%

(1α,2β,3α,5α,7α)-4,8-Dioxatricyclo<5.1.0.03,5>octan-2-ol-acetat (55990-88-0,62840-78-2) → 1,2:4,5-cis-Dianhydrodesoxyinosit (62776-30-1,261919-41-9)

Guidance literature:

With ammonia; In methanol; at 20 ℃; for 5h;

Reference yield: 94.0%

(1α,2α,3α,5α,7α)-4,8-Dioxatricyclo<5.1.0.03,5>octan-2-ol-acetat (55990-88-0,62840-78-2) → (1α,2α,3β,4α,5α)-1,2:4,5-dianhydro-1,2,3,4,5-cyclohexane-pentol (55990-89-1,261919-41-9)

Guidance literature:

With ammonia; In methanol; at 20 ℃; for 5h;

Reference yield: 86.0%

(1α,2α,3α,5α,7α)-2-(2,4-Dinitrophenoxy)-4,8-dioxatricyclo<5.1.0.03,5>octan (62774-79-2) → (1α,2α,3β,4α,5α)-1,2:4,5-dianhydro-1,2,3,4,5-cyclohexane-pentol (55990-89-1,261919-41-9) + 2,4-dinitroanisole (119-27-7) + (1α,2α,3β,4α,6α)-4-Azido-7-oxabicyclo<4.1.0>heptan-2,3-diol

Guidance literature:

With sodium azide; zinc(II) sulfate; In methanol; for 14h; Title compound not separated from byproducts; Heating;

upstream raw materials:

(1α,2α,3α,5α,7α)-4,8-Dioxatricyclo<5.1.0.0^3,5>octan-2-ol-acetat

(1α,2α,3α,5α,7α)-2-(2,4-Dinitrophenoxy)-4,8-dioxatricyclo<5.1.0.0^3,5>octan

2-bromo-7-oxabicyclo<4.1.0>hept-3-ene

(1α,2β,3α,5α,7α)-2-Brom-4,8-dioxatricyclo<5.1.0.0^3,5>octan

Downstream raw materials:

(1α,2α,3β,4α,5α)-1,2:4,5-dianhydro-3-O-<(R)-(1-phenylethyl)carbamoyl>-1,2,3,4,5-cyclohexanepentol

(1α,2α,3β,4α,5α)-1,2:4,5-dianhydro-3-O-<(S)-(1-phenylethyl)carbamoyl>-1,2,3,4,5-cyclohexanepentol

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