trans-4-tert-Butylcyclohexanoic acid

Name: trans-4-tert-Butylcyclohexanoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 943-29-3
Cat. No. CS-0081079
Purity≥97%
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+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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trans-4-tert-Butylcyclohexanoic acid|CS-0081079

Structure of 943-29-3

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Description

trans-4-tert-Butylcyclohexanoic acid features a rigid, sterically hindered cyclohexane ring with a bulky tert-butyl group at the 4-position, conferring exceptional stability and low reactivity. This configuration enhances solubility in organic solvents while maintaining excellent bench-stability. The carboxylic acid moiety enables direct coupling reactions or derivatization under mild conditions, making it ideal for synthetic intermediates in medicinal chemistry and materials science applications.

Application

trans-4-tert-Butylcyclohexanoic acid serves as a rigid, sterically defined scaffold for medicinal chemistry and asymmetric synthesis. Its trans configuration enforces a fixed chair conformation, while the bulky tert-butyl group provides enhanced metabolic stability and lipophilicity. The carboxylic acid functionality enables direct derivatization via standard coupling reactions, facilitating access to esters, amides, and other bioactive analogs. Bench-stable and readily purified by recrystallization, it functions reliably in multistep syntheses and serves as a key building block for cyclohexane-based drug candidates.

General Information

CAS No. 943-29-3
Cat. No. CS-0081079
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₀O₂
Molecular Weight 184.28
Synonym(s) None
SMILES O=C([C@H]1CC[C@H](C(C)(C)C)CC1)O

Computational Chemistry Data

TPSA 37.3
LogP 2.9235
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

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 : H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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trans-4-tert-Butylcyclohexanoic acid

CAS No. 943-29-3

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