Lot numbers can be found on the outside label of a product:
(4,4-Difluorocyclohexyl)methanol
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CAS No. 178312-48-6
- Cat. No. CS-W005938
- Purity≥97%
- MDL No.MFCD11847775
*For research and further manufacturing use only, not for direct human use.
Structure of 178312-48-6
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General Information
- CAS No. 178312-48-6
- Cat. No. CS-W005938
- Purity ≥97%
- MDL No. MFCD11847775
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₂F₂O
- Molecular Weight 150.17
- Synonym(s) Cyclohexanemethanol, 4,4-difluoro- (9CI)
- SMILES OCC1CCC(F)(F)CC1
Description
This difluorocyclohexylmethanol features a rigid cyclohexane core with two fluorine atoms at the 4-positions, enhancing metabolic stability and lipophilicity. The terminal hydroxyl group enables straightforward derivatization, making it ideal for incorporating into bioactive molecules or as a chiral building block in synthetic pathways requiring defined stereochemistry and enhanced membrane permeability.
Application
(4,4-Difluorocyclohexyl)methanol serves as a valuable building block in medicinal chemistry, enabling the introduction of a rigid, lipophilic difluorocyclohexyl moiety with enhanced metabolic stability. The primary alcohol functionality facilitates straightforward derivatization via esterification, etherification, or oxidation to aldehyde/carboxylic acid. Its bench-stable nature and compatibility with standard coupling reactions make it well-suited for use in multi-step synthesis of bioactive molecules and API intermediates.
Synthesis
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Route1
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In-stock
121629-14-9 - ~%
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In-stock
178312-48-6
References
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WO2009/65035 A1, ; Page/Page column 81-82 ;
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Route2
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In-stock
178312-47-5 - ~%
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In-stock
178312-48-6
References
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WO2007/140439 A2, ; Page/Page column 129-130 ; WO 2007/140439 A2
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Route3
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98-59-9 - ~%
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In-stock
178312-48-6
References
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US5968923 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 20.23
- LogP 1.8042
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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