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

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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

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26
WGK Germany: 3
HS Code: 2906190090

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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.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 765813
Product name: 4,4-Difluorocyclohexanemethanol
Purity: 97%
Packaging: 1g
Price: $136
Updated: 2025/07/31

TRC

Product number: D447688
Product name: (4,4-Difluorocyclohexyl)methanol
Packaging: 1g
Price: $105
Updated: 2021/12/16

TRC

Product number: D447688
Product name: (4,4-Difluorocyclohexyl)methanol
Packaging: 250mg
Price: $55
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FD80607
Product name: 4,4-Difluoro-Cyclohexanemethanol
Packaging: 1g
Price: $70
Updated: 2021/12/16

Oakwood

Product number: 229901
Product name: (4,4-Difluorocyclohexyl)methanol
Packaging: 250mg
Price: $19
Updated: 2021/12/16

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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

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Cyclohexanemethanol, 4,4-difluoro- (9CI) Suppliers

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View Lastest Price from Cyclohexanemethanol, 4,4-difluoro- (9CI) manufacturers

Career Henan Chemical Co

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

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178312-48-6

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