Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, cis-


Chemical Name: Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, cis-
CAS Number: 943-28-2
Product Number: AG006BYM(AGN-PC-0ONUZH)
Synonyms:
MDL No:
Molecular Formula: C11H20O2
Molecular Weight: 184.2753

Identification/Properties


Properties
MP:
117 °C
Form:
Solid
Computed Properties
Molecular Weight:
184.279g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
184.146g/mol
Monoisotopic Mass:
184.146g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
183
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#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The cis-4-(tert-Butyl)cyclohexanecarboxylic acid is a versatile compound commonly utilized in chemical synthesis. Its unique molecular structure allows it to participate in various synthetic reactions, making it a valuable building block in the creation of complex organic molecules.One of the key applications of cis-4-(tert-Butyl)cyclohexanecarboxylic acid is its role as a chiral auxiliary in asymmetric synthesis. By incorporating this compound into a reaction, chemists can control the stereochemistry of the final product, ensuring the formation of a single enantiomer with high stereoselectivity.Furthermore, cis-4-(tert-Butyl)cyclohexanecarboxylic acid can also serve as a precursor for the synthesis of other functionalized cyclohexane derivatives. Its tert-butyl group provides steric hindrance, influencing the reactivity and selectivity of subsequent chemical transformations.In summary, the application of cis-4-(tert-Butyl)cyclohexanecarboxylic acid in chemical synthesis extends beyond a simple reagent—it plays a crucial role in controlling stereochemistry, enabling the construction of complex organic molecules with high precision and efficiency.