1,2:4,5-Biscyclohexylidene DL-myo-Inositol

Base Information

• Chemical Name: 1,2:4,5-Biscyclohexylidene DL-myo-Inositol
• CAS No.: 104873-71-4
• Molecular Formula: C₁₈H₂₈O₆
• Molecular Weight: 340.417
• DSSTox Substance ID: DTXSID00390635
• Mol file: 104873-71-4.mol

Synonyms:104873-71-4;1,2:4,5-Biscyclohexylidene-DL-myo-inositol;1,2:4,5-Biscyclohexylidene DL-myo-Inositol;CID 3249464;D-myo-Inositol, 1,2:4,5-di-O-cyclohexylidene-;55123-26-7;AC1MN4M6;DTXSID00390635;LJLFYCLESOMKAW-UHFFFAOYSA-N;FT-0663253;FT-0663254

Chemical Property of 1,2:4,5-Biscyclohexylidene DL-myo-Inositol

Chemical Property:

• Melting Point: 168-172°C
• Boiling Point: 577.3±50.0 °C(Predicted)
• PKA: 12.66±0.40(Predicted)
• PSA: 77.38000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 1.61060
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), DMF (Very Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 340.18858861
• Heavy Atom Count: 24
• Complexity: 412

Purity/Quality:

97% ^*data from raw suppliers

1,2:4,5-BiscyclohexylideneDL-myo-Inositol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)OC3C(C4C(C(C3O2)O)OC5(O4)CCCCC5)O
• Uses: 1,2:4,5-Biscyclohexylidene DL-Myo-Inositol can act as intermediate in the synthesis of phosphonate derivatives of myo-inositol for use in biochemical studies of inositol-binding proteins.

Technology Process of 1,2:4,5-Biscyclohexylidene DL-myo-Inositol

There total 51 articles about 1,2:4,5-Biscyclohexylidene DL-myo-Inositol 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: 100.0%

2,3:5,6-(1,2:4,5)-dicyclohexylidene-myo-inositol 1,4-(3,6)-biscamphanate (126647-64-1) → D-1,2:4,5-di-O-cyclohexylidene-myo-inositol (34361-60-9,55123-24-5,55123-26-7,62012-78-6,104873-71-4)

Guidance literature:

With potassium hydroxide; In ethanol; at 25 ℃;

DOI:10.1016/S0040-4020(01)89510-7

Reference yield: 100.0%

D-3-O-benzoyl-1,2:4,5-di-O-cyclohexylidene-myo-inositol (134109-13-0) → D-1,2:4,5-di-O-cyclohexylidene-myo-inositol (34361-60-9,55123-24-5,55123-26-7,62012-78-6,104873-71-4)

Guidance literature:

With potassium hydroxide; In methanol; water; for 0.5h; Ambient temperature;

DOI:10.1246/bcsj.65.366

Reference yield: 99.0%

D-3,6-di-O-[(S)-O-acetylmandeloyl]-1,2:4,5-di-O-cyclohexylidene-myo-inositol → D-1,2:4,5-di-O-cyclohexylidene-myo-inositol (34361-60-9,55123-24-5,55123-26-7,62012-78-6,104873-71-4)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 2h;

DOI:10.1016/j.tetasy.2004.11.030

upstream raw materials:

1,1-diethoxycyclohexane

D-myo-inositol

1-ethoxycyclohexene

rac-1,2-O-cyclohexylidene-myo-inositol

Downstream raw materials:

C₂₅H₃₂O₇

C₃₄H₄₄BrO₉P

3,6-di-O-benzyl-1,2:4,5-di-O-cyclohexylidene-D(L)-myo-inositol

(+/-)-3-O-benzyl-1,2:4,5-di-O,O-cyclohexylidene-myo-inositol