trans-Methyl 4-hydroxycyclohexanecarboxylate

Name: trans-Methyl 4-hydroxycyclohexanecarboxylate
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CAS No. 6125-57-1
Cat. No. CS-W019193
Purity≥98%
MDL No.None

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trans-Methyl 4-hydroxycyclohexanecarboxylate|CS-W019193

Structure of 6125-57-1

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General Information

CAS No. 6125-57-1
Cat. No. CS-W019193
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₄O₃
Molecular Weight 158.20
Synonym(s) trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester
SMILES O=C([C@H]1CC[C@H](O)CC1)OC

Description

trans-Methyl 4-hydroxycyclohexanecarboxylate features a rigid, conformationally stable cyclohexane core with equatorially oriented hydroxyl and ester groups. This stereochemical configuration enhances solubility and stability under standard conditions, enabling reliable use in asymmetric synthesis and as a chiral building block for complex natural product derivatization.

Application

trans-Methyl 4-hydroxycyclohexanecarboxylate serves as a versatile chiral building block in synthetic organic chemistry, enabling stereoselective functionalization at the C4 position. Its bench-stable nature and compatibility with standard protecting group strategies facilitate efficient synthesis of cyclohexane-based pharmaceutical intermediates. The molecule functions as a key scaffold for constructing bioactive heterocycles and serves as a precursor in the development of conformationally constrained analogs for medicinal chemistry applications.

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 46.53
LogP 0.7105
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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trans-Methyl 4-hydroxycyclohexanecarboxylate

CAS No. 6125-57-1

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