1,2,3,4,5-Cyclohexanepentol

Base Information

• Chemical Name: 1,2,3,4,5-Cyclohexanepentol
• CAS No.: 62076-18-0
• Molecular Formula: C₆H₁₂O₅
• Molecular Weight: 164.158
• NSC Number: 602355,601517,601516,382683
• DSSTox Substance ID: DTXSID30871684
• Nikkaji Number: J6.032A
• Wikidata: Q105115843
• Mol file: 62076-18-0.mol

Synonyms:1,2,3,4,5-cyclohexanepentol;5-deoxy-myo-inositol;5-deoxyinositol;quercitol

Chemical Property of 1,2,3,4,5-Cyclohexanepentol

Chemical Property:

• Melting Point: 180-181 °C
• Boiling Point: 293.6±40.0 °C(Predicted)
• PKA: 13.42±0.70(Predicted)
• Density: 1.796±0.06 g/cm3(Predicted)
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 164.06847348
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(C(C1O)O)O)O)O

Technology Process of 1,2,3,4,5-Cyclohexanepentol

There total 56 articles about 1,2,3,4,5-Cyclohexanepentol 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: 97.0%

5-O-methyl-gala-quercitol tetraacetate → DL-gala-quercitol (488-73-3,488-74-4,488-76-6,527-39-9,527-42-4,3411-22-1,17278-12-5,19776-68-2,19776-71-7,19776-72-8,19776-73-9,26671-58-9,38653-82-6,38836-69-0,40617-62-7,60802-79-1,62076-18-0,78148-00-2,81369-59-7,81369-61-1,81369-62-2,81369-63-3,81623-40-7,81623-43-0,90899-07-3,126108-74-5,131435-06-8)

Guidance literature:

With hydrogen bromide; at 20 ℃; for 72h;

DOI:10.1055/s-2003-40517

Reference yield: 97.0%

(3aα,4α,5β,7β,7aα)-hexahydro-2,2-dimethylbenzo-1,3(2H)-dioxol-4,5,7-triol (130633-22-6) → epi-quercitol (488-73-3,488-74-4,488-76-6,527-39-9,527-42-4,3411-22-1,17278-12-5,19776-68-2,19776-71-7,19776-72-8,19776-73-9,26671-58-9,38653-82-6,38836-69-0,40617-62-7,60802-79-1,62076-18-0,78148-00-2,81369-59-7,81369-61-1,81369-62-2,81369-63-3,81623-40-7,81623-43-0,90899-07-3,126108-74-5,131435-06-8)

Guidance literature:

With trifluoroacetic acid; for 4h; Ambient temperature;

Reference yield: 95.0%

(1a,2b,3b,4b,6a)-8,8-dimethyl-2,3,4-triacetoxy-7,9-dioxabicyclo[4.3.01.6]nonane → cyclohexane-1r,2c,3,4t,5t-pentaol (488-73-3,488-74-4,488-76-6,527-39-9,527-42-4,3411-22-1,17278-12-5,19776-68-2,19776-71-7,19776-72-8,19776-73-9,26671-58-9,38653-82-6,38836-69-0,40617-62-7,60802-79-1,62076-18-0,78148-00-2,81369-59-7,81369-61-1,81369-62-2,81369-63-3,81623-40-7,81623-43-0,90899-07-3,126108-74-5,131435-06-8)

Guidance literature:

With sulfuric acid; for 3h; Ambient temperature;

DOI:10.1021/jo971978q

upstream raw materials:

Acetic acid (1R,3R,4R,6R)-2,3,4,6-tetraacetoxy-cyclohexyl ester

(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo-1,3-dioxole

cyclohexa-1,4-diene

cis-cyclohex-4-ene-1,2-diol

Downstream raw materials:

Acetic acid (1R,3R,4R,6R)-2,3,4,6-tetraacetoxy-cyclohexyl ester

rac-(1R,2S,3R,4S,5S)-cyclohexane-1,2,3,4,5-pentayl pentaacetate

(+/-)-3r,4t,5c-trihydroxy-cyclohexane-1,2-dione-bis-phenylhydrazone

(+/-)-1L-cyclohexane-1,3/2,4-tetrol