Cyclohexanemethanol, 4,4-difluoro- (9CI)
- Product Name
- Cyclohexanemethanol, 4,4-difluoro- (9CI)
- CAS No.
- 178312-48-6
- Chemical Name
- Cyclohexanemethanol, 4,4-difluoro- (9CI)
- Synonyms
- 4,4-Difluoro-cyclohexaneMethanol;(4,4-Difluorocyclohexyl)Methanol;CyclohexaneMethanol, 4,4-difluoro-;4,4-Difluorocyclohexane-1-methanol;4,4-
Difluorocyclohexanemethanol;Cyclohexanemethanol, 4,4-difluoro- (9CI);1,1-Difluoro-4-(hydroxymethyl)cyclohexane - CBNumber
- CB01043033
- Molecular Formula
- C7H12F2O
- Formula Weight
- 150.17
- MOL File
- 178312-48-6.mol
Cyclohexanemethanol, 4,4-difluoro- (9CI) Property
- Density
- 1.154 g/mL at 25 °C
- refractive index
- n20/D1.431
- Flash point:
- 101℃
- storage temp.
- 2-8°C
- form
- liquid
- pka
- 15.05±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Boiling point:
- 207-213°C/760 mmHg
- InChI
- InChI=1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2
- InChIKey
- XJZNZSLOHZLFQP-UHFFFAOYSA-N
- SMILES
- C1(CO)CCC(F)(F)CC1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 765813
- Product name
- 4,4-Difluorocyclohexanemethanol
- Purity
- 97%
- Packaging
- 1g
- Price
- $136
- Updated
- 2025/07/31
- Product number
- D447688
- Product name
- (4,4-Difluorocyclohexyl)methanol
- Packaging
- 1g
- Price
- $105
- Updated
- 2021/12/16
- Product number
- D447688
- Product name
- (4,4-Difluorocyclohexyl)methanol
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- FD80607
- Product name
- 4,4-Difluoro-Cyclohexanemethanol
- Packaging
- 1g
- Price
- $70
- Updated
- 2021/12/16
- Product number
- 229901
- Product name
- (4,4-Difluorocyclohexyl)methanol
- Packaging
- 250mg
- Price
- $19
- Updated
- 2021/12/16
Cyclohexanemethanol, 4,4-difluoro- (9CI) Chemical Properties,Usage,Production
Uses
(4,4-Difluorocyclohexyl)methanol acts as a reagent in the preparation and anti-HIV activity of fluorinated betulinic acid derivatives.
Synthesis
121629-14-9
178312-48-6
General procedure for the synthesis of (4,4-difluorocyclohexyl)methanol from methyl 4,4-difluorocyclohexanecarboxylate: LiAlH4 (2.0 M THF solution, 11.2 mL, 22.47 mmol) was suspended in anhydrous Et2O (55 mL) under the protection of nitrogen and cooled to 0 °C. Subsequently, methyl 4,4-difluorocyclohexanecarboxylate (1.0 g, 5.62 mmol) was dissolved in dry Et2O (10 mL) and the above suspension was added dropwise. The reaction mixture was stirred at room temperature for 1 h and then cooled to 0 °C again. H2O (1.0 mL) was added slowly and carefully, followed by 3.0 M KOH solution (1.0 mL) and additional H2O (4.5 mL). The mixture was continued to be stirred at 0 °C for 1 h, followed by filtration. The organic layer was dried with Na2SO4, filtered and concentrated to dryness to afford (4,4-difluorocyclohexyl)methanol (0.68 g, 81% yield), which could be used in the subsequent steps without further purification.1H NMR (DMSO-d6) data: δ 4.51 (t, 1H, J=5.6 Hz), 3.26 (t, 2H, J=7.5 Hz), 2.05- 1.93 (m, 2H), 1.86-1.66 (m, 4H), 1.55-1.41 (m, 1H), 1.21-1.08 (m, 2H).
References
[1] Patent: WO2014/144836, 2014, A2. Location in patent: Paragraph 0986; 0987; 0993; 0994
[2] European Journal of Medicinal Chemistry, 2016, vol. 111, p. 138 - 159
[3] Patent: EP3299371, 2018, A1. Location in patent: Paragraph 0096; 0097; 0098
[4] Patent: WO2009/65035, 2009, A1. Location in patent: Page/Page column 81-82
Cyclohexanemethanol, 4,4-difluoro- (9CI) Preparation Products And Raw materials
Raw materials
Preparation Products
Cyclohexanemethanol, 4,4-difluoro- (9CI) Suppliers
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View Lastest Price from Cyclohexanemethanol, 4,4-difluoro- (9CI) manufacturers
- Product
- Cyclohexanemethanol, 4,4-difluoro- (9CI) 178312-48-6
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 95%
- Supply Ability
- 500KG
- Release date
- 2018-08-19