(2,2-Difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate

Base Information

Chemical Name:(2,2-Difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate
CAS No.:132488-75-6
Molecular Formula:C₆H₁₃F₂O₁₄P₃
Molecular Weight:440.079
Hs Code.:
DSSTox Substance ID:DTXSID60927704
Pharos Ligand ID:7WNFDL21H9U8
ChEMBL ID:CHEMBL1161466
Mol file:132488-75-6.mol

Synonyms:2,2-difluoro-2-deoxy-inositol 1,4,5-trisphosphate;2,2-F-IP3;DL-2,2-difluoro-2-deoxy-myo-inositol 1,4,5-trisphosphate

Suppliers and Price of (2,2-Difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of (2,2-Difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate

Chemical Property:

Vapor Pressure:1.57E-33mmHg at 25°C
Boiling Point:849°Cat760mmHg
Flash Point:467.3°C
PSA：270.17000
Density:2.21g/cm³
LogP:-2.20920
XLogP3:-5.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:6
Exact Mass:439.94862240
Heavy Atom Count:25
Complexity:622

Purity/Quality:: 99%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1(C(C(C(C(C1OP(=O)(O)O)(F)F)O)OP(=O)(O)O)OP(=O)(O)O)O

Technology Process of (2,2-Difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate

There total 20 articles about (2,2-Difluoro-3,6-dihydroxy-4,5-diphosphonooxycyclohexyl) dihydrogen phosphate 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:

: 127414-71-5,139894-55-6,139894-57-8
D-3,6-di-O-benzyl-2-deoxy-2,2-difluoro-myo-inositol

: 132488-75-6,139894-56-7,139894-58-9
D-2-deoxy-2,2-difluoro-myo-inositol 1,4,5-trisphosphate

Guidance literature:: Multi-step reaction with 3 steps

1: tetrazole / CH₂Cl₂ / 1 h / Ambient temperature

2: aq. t-butyl hydroperoxide / 1 h / -78 °C

3: sodium, liquid ammonia / dioxane / 0.25 h / -78 °C

With 1H-tetrazole; tert.-butylhydroperoxide; ammonia; sodium; In 1,4-dioxane; dichloromethane;

Reference yield:

: 127414-72-6
2,2-difluoro-1-O-allyl-3,6-di-O-benzyl-4,5-O-isopropylidene myo-inositol

: 132488-75-6,139894-56-7,139894-58-9
D-2-deoxy-2,2-difluoro-myo-inositol 1,4,5-trisphosphate

Guidance literature:: Multi-step reaction with 4 steps

1: DABCO / Wilkinson's catalyst / ethanol

2: H₃O+ / methanol

3: 1.) NaH / 1.) DMF, 0 deg C

4: 10percent Pd/C / ethanol

With 1,4-diaza-bicyclo[2.2.2]octane; oxonium; sodium hydride; palladium on activated charcoal; Wilkinson's catalyst; In methanol; ethanol;
DOI:10.1016/S0040-4039(01)80578-5

Reference yield:

: 127414-70-4,127471-46-9
(3aS,4R,6S,7R,7aR)-4,7-Bis-benzyloxy-5,5-difluoro-2,2-dimethyl-6-[((E)-propenyl)oxy]-hexahydro-benzo[1,3]dioxole

: 132488-75-6,139894-56-7,139894-58-9
D-2-deoxy-2,2-difluoro-myo-inositol 1,4,5-trisphosphate

Guidance literature:: Multi-step reaction with 3 steps

1: H₃O+ / methanol

2: 1.) NaH / 1.) DMF, 0 deg C

3: 10percent Pd/C / ethanol

With oxonium; sodium hydride; palladium on activated charcoal; In methanol; ethanol;
DOI:10.1016/S0040-4039(01)80578-5