cis-1,2-Cyclohexanediol
Product Information
Molecular Formula
C6H12O2
Molecular Weight
116.16
Description
cis-1,2-Cyclohexanediol (CAS# 1792-81-0) is a reagent used in the synthesis of boronic esters of corannulene which are used to prepare icosahedral supramolecules.
Synonyms
(1R,2S)-cyclohexane-1,2-diol
IUPAC Name
(1R,2S)-cyclohexane-1,2-diol
SMILES
C1CCC(C(C1)O)O
InChI
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+
InChI Key
PFURGBBHAOXLIO-OLQVQODUSA-N
Boiling Point
116 °C / 13 mmHg
Melting Point
98-101 °C
Purity
95 %
Density
1.156 g/cm3
Appearance
White to light beige crystalline flakes or powder
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.4270 (estimate)
LogP
0.28220
Vapor Pressure
0.01 [mmHg]
Computed Properties
XLogP3
0.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
116.083729621 g/mol
Monoisotopic Mass
116.083729621 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
62.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113200842-A | Adipic acid preparation method and system | 2021-05-08 |
| CN-112608263-A | Tellurium organic complex, preparation method thereof and tellurium-doped liquid scintillator containing complex | 2020-11-30 |
| WO-2021257279-A1 | Reusable face mask | 2020-06-02 |
| WO-2021122386-A1 | Glycolic acid polymer | 2019-12-18 |
| WO-2021122391-A1 | Downhole tool member comprising a branched poly(hydroxyacid) | 2019-12-18 |
| US-2020353105-A1 | Macrocyclic Chelators and Methods of Use Thereof | 2019-05-10 |
| CA-3139806-A1 | Macrocyclic chelators and methods of use thereof | 2019-05-10 |
| CN-114127059-A | Macrocyclic chelants and methods of use thereof | 2019-05-10 |
| KR-20220006613-A | Macrocyclic chelators and methods of use thereof | 2019-05-10 |
| JP-2020138947-A | Optically active benz azabolol derivative and its manufacturing method | 2019-03-01 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22711445 | 2012-07-01 | Assessment of the nuclear pore dilating agent trans-cyclohexane-1,2-diol in differentiated airway epithelium | The journal of gene medicine |
| 21634386 | 2011-07-04 | Theoretical study of oxidation of cyclohexane diol to adipic anhydride by [Ru(IV)(O)(tpa)(H2O)]2+ complex (tpa ═ tris(2-pyridylmethyl)amine) | Inorganic chemistry |
| 20429581 | 2010-06-04 | A very active cu-catalytic system for the synthesis of aryl, heteroaryl, and vinyl sulfides | The Journal of organic chemistry |
| 19719179 | 2009-08-06 | On the origins of kinetic resolution of cyclohexane-1,2-diols through stereoselective acylation by chiral tetrapeptides | Organic letters |
| 19166366 | 2009-02-02 | From simple diols to carbohydrate derivatives of phenylarsonic acid | Inorganic chemistry |
| 19430194 | 2009-01-01 | Oxidation of cyclohexanediol derivatives with 12-tungstophosphoric acid-hydrogen peroxide system | Journal of oleo science |
| 18001100 | 2007-12-21 | Advantages of synthesizing trans-1,2-cyclohexanediol in a continuous flow microreactor over a standard glass apparatus | The Journal of organic chemistry |
| 16586103 | 2006-10-01 | Biocatalytic production of enantiopure cyclohexane-trans-1,2-diol using extracellular lipases from Bacillus subtilis | Applied microbiology and biotechnology |
| 12939524 | 2003-08-01 | Absence of interactive effects of trans-1,2-cyclohexanediol, a major metabolite of the side-chain of candesartan cilexetil, on digoxin-induced arrhythmias in dogs | Journal of pharmacological sciences |
| 12681920 | 2003-04-22 | Tin(II) chloride catalyzed reactions of diazodiphenylmethane with vicinal diols in an aprotic solvent. The reactions with cis- and trans-1,2-cyclohexanediols and 1,2-propanediol | Carbohydrate research |
