4-(Bromomethyl)-1,1-difluorocyclohexane

Name: 4-(Bromomethyl)-1,1-difluorocyclohexane
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 858121-94-5
Cat. No. CS-0051174
Purity≥97%
MDL No.MFCD11847776

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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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4-(Bromomethyl)-1,1-difluorocyclohexane|CS-0051174

Structure of 858121-94-5

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General Information

CAS No. 858121-94-5
Cat. No. CS-0051174
Purity ≥97%
MDL No. MFCD11847776
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₁BrF₂
Molecular Weight 213.06
Synonym(s) 4-Bromomethyl-1,1-difluoro-cyclohexane
SMILES FC1(F)CCC(CBr)CC1

Description

4-(Bromomethyl)-1,1-difluorocyclohexane features a reactive bromomethyl group tethered to a cyclohexane ring bearing two fluorine atoms at the same carbon. This configuration imparts enhanced stability and polarity, facilitating efficient incorporation into complex molecular architectures under mild conditions. The difluoromethyl moiety enhances metabolic resistance and modulates lipophilicity, making this compound valuable for medicinal chemistry applications requiring robust functionalization.

Application

4-(Bromomethyl)-1,1-difluorocyclohexane serves as a versatile difluorocyclohexyl building block for C–C and C–heteroatom bond formation. The bromomethyl group enables facile nucleophilic substitution, while the 1,1-difluoro substituent imparts enhanced metabolic stability and lipophilicity. Its bench-stable nature and compatibility with standard coupling protocols facilitate efficient integration into complex molecular architectures, including bioactive heterocycles and pharmaceutical intermediates.

Synthesis

Route1
- In-stock
  
  178312-48-6
- ~54%
- In-stock
  
  858121-94-5
References
- US2010/261755 A1, ; Page/Page column 36 ;
Route2
- 178310-99-1
- ~%
- In-stock
  
  858121-94-5
References
- WO2005/63694 A1, ; Page/Page column 137-138 ;

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 3.2068
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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4-(Bromomethyl)-1,1-difluorocyclohexane

CAS No. 858121-94-5

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