4,4-Difluorocyclohexanol Cas 22419-35-8
Product Description
Product Name: 4,4-Difluorocyclohexanol
Synonyms: 1,1-Difluoro-4-hydroxycyclohexane
CAS No. 22419-35-8
M.F.: C6H10F2O
M.W.: 136.14
Specifications
Items | Specifications | Results |
Appearance | Yellow Solid Powder | Qualified |
Purity(%) | ≥98.0 | 98.3 |
Residue on Ignition (%) | ≤0.2 | 0.05 |
Water Content(%) | ≤0.5 | 0.18 |
Conclusion | Up to standard of our company. |
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1. Simple Definition
4,4-Difluorocyclohexanol is an organic chemical compound. You can think of it as a simple ring-shaped structure (cyclohexane) that has been modified in two ways:
Two fluorine atoms are attached to the same carbon atom in the ring.
An alcohol (hydroxyl, -OH) group is attached to a different carbon atom in the ring.
It is primarily used in scientific research and chemical synthesis.
2. Breaking Down the Name
The name describes its molecular structure perfectly:
Cyclohexan- : This indicates a six-carbon ring (cyclohexane), which is not flat but exists in a "chair" conformation.
-ol : This suffix in chemistry means the compound contains an alcohol (hydroxyl, -OH) functional group.
4,4-Difluoro- : This prefix tells us that two fluorine (F) atoms are bonded to the same carbon atom at position #4 of the cyclohexane ring.
In chemical numbering, the carbon with the -OH group is typically designated as carbon #1.
3. Chemical Structure and Properties
Key Structural Features:
Ring: The cyclohexane ring is the core scaffold.
Chair Conformation: At room temperature, the molecule predominantly exists in a chair conformation, where the substituents can be equatorial (in the plane of the ring) or axial (perpendicular to it). The hydroxyl group (-OH) is most stable in an equatorial position.
Geminal Difluoride: The two fluorine atoms are attached to the same carbon. This is called a "geminal difluoride" group (geminal means "on the same" atom). This group is highly polar and can significantly alter the molecule's electronic properties and metabolic stability compared to non-fluorinated compounds.
Physical Properties:
It is typically a colorless liquid or a low-melting solid at room temperature.
It has a relatively high boiling point due to hydrogen bonding from the -OH group.
It is moderately soluble in water (due to the -OH group) and highly soluble in common organic solvents like ethanol, diethyl ether, and dichloromethane.
4. Synthesis (How is it made?)
There are several laboratory routes to synthesize 4,4-Difluorocyclohexanol. A common one involves:
Starting Material: Begin with a molecule like 4-hydroxycyclohexanone (which already has the -OH group and a carbonyl group at the correct positions).
Fluorination: Treat the carbonyl group (C=O) at position 4 with a fluorinating reagent, such as Diethylaminosulfur trifluoride (DAST) or Deoxo-Fluor.
Reaction: These reagents replace the oxygen of the carbonyl group with two fluorine atoms, converting the C=O into a CF₂ group.
The chemical reaction is summarized as:
4-Hydroxycyclohexanone + DAST → 4,4-Difluorocyclohexanol
5. Applications and Uses
4,4-Difluorocyclohexanol is not a common consumer product. Its primary importance lies in its role as a chemical building block (synthon) in organic synthesis, especially in the pharmaceutical and agrochemical industries.
Pharmaceuticals: The cyclohexane ring is a very common scaffold in drug molecules. Introducing fluorine atoms is a standard strategy in medicinal chemistry because it can:
Increase Metabolic Stability: The C-F bond is very strong and resistant to being broken down by the body's enzymes, which can prolong the drug's duration of action.
Modify Lipophilicity: Fluorine changes how the molecule interacts with fats and water, which affects its absorption and distribution in the body.
Inhibit Metabolism: Fluorine can block specific sites on a molecule where metabolism would normally occur.
Agrochemicals: Similarly, fluorine-containing compounds are prevalent in the development of herbicides, pesticides, and fungicides.
Material Science: It can be used as a precursor for more complex fluorinated molecules used in specialty polymers or liquid crystals.
Summary
| Aspect | Description |
|---|
| Identity | A fluorinated cyclohexanol derivative. |
| Structure | A six-carbon ring in a chair conformation with an -OH group and a -CF₂- group. |
| Role | A versatile building block for chemical synthesis. |
| Key Feature | The geminal difluoride group, which is important for tuning the properties of larger molecules. |
| Primary Use | Research and development of new pharmaceuticals and agrochemicals. |
In essence, 4,4-Difluorocyclohexanol is a valuable and specialized tool for chemists to create more complex and effective fluorinated molecules.
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Different products have different MOQ, such as:
1).Peptide products, the MOQ is 1 gram level
2).Liquid products, the MOQ is usually 50-100ML
3).API, the MOQ is 1KG
4).Intermediate products and conventional product, the MOQ is 1KG; custom-tailored products, the MOQ depends on the production process.
5).Food additives and vitamin, the MOQ is usually one package: such as Vitamin C is 25KG / drum, Vitamin E oil or Vitamin A oil is 5KG/bag;Vitamin E powder or Vitamin A powder is 20KG / cartons.
6).Agrochemical , the MOQ is 1KG, except preparations.
6.How do we take the quality complaint ?
First of all, our quality control will reduce the quality issue to near zero. If there is a quality problem caused by us, we will send you free goods for replacement or compensate your loss.
Company Information
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Wuhan Fortuna Chemical Co.,Ltd established in 2006, is a big integrative chemical enterprise being engaged in Pharmaceutical & its intermediates, Food/Feed additives, Fine chemicals in distributing the products of our own company and affiliated enterprises, are the members of Hubei E-commerce Chamber.
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