cis-tert-Butyl-4-hydroxycyclohexane-1-carboxylate

Name: cis-tert-Butyl-4-hydroxycyclohexane-1-carboxylate
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CAS No. 931110-79-1
Cat. No. CS-0674664
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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cis-tert-Butyl-4-hydroxycyclohexane-1-carboxylate|CS-0674664

Structure of 931110-79-1

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General Information

CAS No. 931110-79-1
Cat. No. CS-0674664
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₀O₃
Molecular Weight 200.27
Synonym(s) None
SMILES O=C([C@H]1CC[C@@H](O)CC1)OC(C)(C)C

Description

cis-tert-Butyl-4-hydroxycyclohexane-1-carboxylate features a rigid, conformationally locked cyclohexane scaffold with axial hydroxyl and equatorial ester functionalities. This stereochemically defined architecture enables precise control in asymmetric synthesis, particularly in the construction of complex natural products and pharmaceutical intermediates. The tert-butyl ester group provides enhanced stability and facilitates selective deprotection under mild conditions.

Application

cis-tert-Butyl-4-hydroxycyclohexane-1-carboxylate serves as a conformationally biased, bench-stable building block for stereoselective synthesis. The equatorial hydroxyl and axial carboxylate groups enable orthogonal functionalization, facilitating selective derivatization in medicinal chemistry workflows. Its robust tert-butyl ester resists premature hydrolysis, simplifying purification and enabling scalable transformations in heterocyclic and macrocyclic scaffold construction.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 46.53
LogP 1.8792
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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cis-tert-Butyl-4-hydroxycyclohexane-1-carboxylate

CAS No. 931110-79-1

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