(1S,2S,4S,5R)-6-fluorocyclohexane-1,2,3,4,5-pentol

Base Information

Chemical Name:(1S,2S,4S,5R)-6-fluorocyclohexane-1,2,3,4,5-pentol
CAS No.:116049-87-7
Molecular Formula:C₆H₁₁FO₅
Molecular Weight:182.149
Hs Code.:
DSSTox Substance ID:DTXSID80921901
Nikkaji Number:J471.207B
Mol file:116049-87-7.mol

Synonyms:2-deoxy-2-fluoro-myo-inositol;2-deoxy-2-fluoroinositol;2-deoxy-2-fluoroinositol, (neo-Inositol)-isomer

Suppliers and Price of (1S,2S,4S,5R)-6-fluorocyclohexane-1,2,3,4,5-pentol

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 2 raw suppliers

Chemical Property of (1S,2S,4S,5R)-6-fluorocyclohexane-1,2,3,4,5-pentol

Chemical Property:

Vapor Pressure:8.12E-05mmHg at 25°C
Boiling Point:304.7°Cat760mmHg
Flash Point:138.1°C
PSA：101.15000
Density:1.71g/cm³
LogP:-2.85740
XLogP3:-2.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:182.05905161
Heavy Atom Count:12
Complexity:150

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(C1O)O)F)O)O)O
Isomeric SMILES:[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)F)O)O

Technology Process of (1S,2S,4S,5R)-6-fluorocyclohexane-1,2,3,4,5-pentol

There total 4 articles about (1S,2S,4S,5R)-6-fluorocyclohexane-1,2,3,4,5-pentol 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%

: 130633-23-7
(3aα,4α,5β,6α,7β,7aα)-6-fluorohexahydro-2,2-dimethylbenzo-1,3(2H)-dioxol-4,5,7-triol

: 85716-59-2,114716-79-9,114716-82-4,114716-83-5,116049-87-7,120444-24-8,120444-25-9,130697-82-4,131435-07-9,135212-48-5,136315-50-9
(1α,2α,3α,4β,5α,6β)-6-fluoro-1,2,3,4,5-cyclohexanepentol

Guidance literature:: With trifluoroacetic acid; for 4h; Ambient temperature;

Reference yield:

: (+/-)-4-deoxy-4-fluoro-3,5,6-tri-O-benzyl-1,2-O-cyclohexylidene myo-inositol

: 85716-59-2,114716-79-9,114716-82-4,114716-83-5,116049-87-7,120444-24-8,120444-25-9,130697-82-4,131435-07-9,135212-48-5,136315-50-9
(1α,2α,3α,4β,5α,6β)-6-fluoro-1,2,3,4,5-cyclohexanepentol

Guidance literature:: With hydrogen; hydrogen cation; palladium on activated charcoal; In methanol; water;
DOI:10.1016/0040-4039(95)01550-7

Reference yield:

: 125291-06-7,130697-80-2
(3aα,4β,5α,6β,7α,7aα)-6,7-bis(benzyloxy)-5-fluorohexahydro-2,2-dimethylbenzo-1,3(2H)-dioxol-4-ol

: 85716-59-2,114716-79-9,114716-82-4,114716-83-5,116049-87-7,120444-24-8,120444-25-9,130697-82-4,131435-07-9,135212-48-5,136315-50-9
(1α,2α,3α,4β,5α,6β)-6-fluoro-1,2,3,4,5-cyclohexanepentol

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / H₂ / 10percent Pd-C / ethanol / 17 h / Ambient temperature

2: 100 percent / 80percent aq. TFA / 4 h / Ambient temperature

With hydrogen; trifluoroacetic acid; palladium on activated charcoal; In ethanol;