[1,1'-Bicyclohexyl]-4-ol


Chemical Name: [1,1'-Bicyclohexyl]-4-ol
CAS Number: 2433-14-9
Product Number: AG003CQC(AGN-PC-0JLPEU)
Synonyms:
MDL No:
Molecular Formula: C12H22O
Molecular Weight: 182.3025

Identification/Properties


Properties
BP:
283.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
182.307g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
182.167g/mol
Monoisotopic Mass:
182.167g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
141
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



[1,1-Bi(cyclohexyl)]-4-ol is a versatile chiral ligand that finds extensive application in asymmetric catalysis and chemical synthesis. This compound serves as a powerful tool in controlling the stereochemistry of various reactions, making it an essential component in the production of enantiomerically pure compounds. In the field of organic chemistry, [1,1-Bi(cyclohexyl)]-4-ol is commonly utilized in the palladium-catalyzed allylic substitution and hydrogenation reactions, where it provides high levels of enantioselectivity. Furthermore, this ligand has demonstrated efficacy in the enantioselective reduction of ketones and imines, enabling the efficient synthesis of valuable chiral building blocks and pharmaceutical intermediates. Its unique structure and ability to influence the stereochemical outcome of reactions make [1,1-Bi(cyclohexyl)]-4-ol a valuable tool for chemists seeking to access enantiomerically pure compounds with high levels of control and efficiency.