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
Canonical 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 ℃ / 13 mmHg
Melting Point
98-101 ℃
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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