tert-Butyl trans-4-aminocyclohexanecarboxylate

CAS No. 1022159-15-4
Cat. No. CS-0416096
Purity≥97%
MDL No.MFCD30475674

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tert-Butyl trans-4-aminocyclohexanecarboxylate|CS-0416096

Structure of 1022159-15-4

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General Information

CAS No. 1022159-15-4
Cat. No. CS-0416096
Purity ≥97%
MDL No. MFCD30475674
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₂₁NO₂
Molecular Weight 199.29
Synonym(s) None
SMILES C(OC(C)(C)C)(=O)[C@H]1CC[C@H](N)CC1

Description

trans-tert-Butyl 4-aminocyclohexanecarboxylate delivers a stereochemically defined, bench-stable scaffold for asymmetric synthesis. The protected amine and cyclohexane ring enable efficient incorporation into bioactive molecules, while the tert-butyl ester facilitates selective deprotection under mild conditions. This compound serves as a key intermediate in medicinal chemistry campaigns targeting GPCR modulators and CNS therapeutics.

Application

trans-tert-Butyl 4-aminocyclohexanecarboxylate serves as a versatile chiral building block in medicinal chemistry, enabling efficient access to substituted cyclohexane scaffolds. The protected amine and ester functionalities offer orthogonal reactivity, facilitating sequential transformations. Its trans-configuration imparts defined stereochemistry, while the tert-butyl group ensures bench stability and ease of purification. Functions effectively in coupling reactions, reductive amination, and heterocycle formation.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 52.32
LogP 1.8456
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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tert-Butyl trans-4-aminocyclohexanecarboxylate

CAS No. 1022159-15-4

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