Methyl 4-(bromomethyl)cyclohexanecarboxylate

Name: Methyl 4-(bromomethyl)cyclohexanecarboxylate
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CAS No. 1331776-42-1
Cat. No. CS-0041732
Purity≥97%
MDL No.MFCD29921565

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Methyl 4-(bromomethyl)cyclohexanecarboxylate|CS-0041732

Structure of 1331776-42-1

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General Information

CAS No. 1331776-42-1
Cat. No. CS-0041732
Purity ≥97%
MDL No. MFCD29921565
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₅BrO₂
Molecular Weight 235.12
Synonym(s) Cyclohexanecarboxylic acid, 4-(bromomethyl)-, methyl ester
SMILES O=C(C1CCC(CBr)CC1)OC

Description

Methyl 4-(bromomethyl)cyclohexanecarboxylate features a bromomethyl group positioned at the cyclohexane ring's C4 position, enabling site-specific functionalization. The ester moiety provides solubility and reactivity in nucleophilic substitution reactions. This robust intermediate supports efficient synthesis of complex cyclic architectures under standard conditions.

Application

Methyl 4-(bromomethyl)cyclohexanecarboxylate serves as a versatile synthetic building block for cyclohexane-based scaffolds. The bromomethyl group enables facile nucleophilic substitution, while the ester functionality supports selective reduction or hydrolysis. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient construction of complex heterocycles and bioactive molecules in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1760
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 2.3607
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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Methyl 4-(bromomethyl)cyclohexanecarboxylate

CAS No. 1331776-42-1

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