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ethyl 2-(4,4-difluorocyclohexyl)acetate

Product Name
ethyl 2-(4,4-difluorocyclohexyl)acetate
CAS No.
915213-54-6
Chemical Name
ethyl 2-(4,4-difluorocyclohexyl)acetate
Synonyms
ethyl 2-(4,4-difluorocyclohexyl)acetate;4,4-Difluorocyclohexaneacetic acid ethyl ester;Cyclohexaneacetic acid, 4,4-difluoro-, ethyl ester
CBNumber
CB42748867
Molecular Formula
C10H16F2O2
Formula Weight
206.23
MOL File
915213-54-6.mol
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ethyl 2-(4,4-difluorocyclohexyl)acetate Property

Boiling point:
222.9±10.0 °C(Predicted)
Density 
1.08±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Appearance
Colorless to light yellow Liquid
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Safety

HS Code 
2918300090
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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.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
E916698
Product name
Ethyl2-(4,4-difluorocyclohexyl)acetate
Packaging
100mg
Price
$175
Updated
2021/12/16
Activate Scientific
Product number
AS90098
Product name
Ethyl 2-(4,4-difluorocyclohexyl)acetate
Purity
95+%
Packaging
250mg
Price
$216
Updated
2021/12/16
Apolloscientific
Product number
PC510248
Product name
Ethyl2-(4,4-Difluorocyclohexyl)acetate
Packaging
250mg
Price
$356
Updated
2021/12/16
SynQuest Laboratories
Product number
2223-3-03
Product name
Ethyl 2-(4,4-difluorocyclohexyl)acetate
Purity
97%
Packaging
250mg
Price
$393
Updated
2021/12/16
Activate Scientific
Product number
AS90098
Product name
Ethyl 2-(4,4-difluorocyclohexyl)acetate
Purity
95+%
Packaging
1g
Price
$430
Updated
2021/12/16
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ethyl 2-(4,4-difluorocyclohexyl)acetate Chemical Properties,Usage,Production

Synthesis

58012-34-3

915213-54-6

General steps: 1. ethyl 2-(4-oxocyclohexyl)acetate (0.4 g) was dissolved in dichloromethane (DCM, 5 mL) and Deoxo-Fluor (0.881 mL) and ethanol (EtOH, 0.038 mL) were added. 2. The reaction mixture was stirred at room temperature for 16 hours. 3. Upon completion of the reaction, the reaction mixture was diluted with saturated sodium bicarbonate (NaHCO3) solution and extracted with ethyl acetate (EtOAc). 4. The organic phase was separated, washed with water and then with saturated sodium chloride (NaCl) solution. 5. The organic phase was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated to give ethyl 2-(4,4-difluorocyclohexyl)acetate (0.4 g). 6. 2-(4,4-difluorocyclohexyl)ethyl acetate was dissolved in tetrahydrofuran (THF, 2 mL) and 1N sodium hydroxide (NaOH, 1 mL) solution was added. 7. The reaction mixture was stirred at room temperature for 16 hours. 8. Upon completion of the reaction, the reaction mixture was concentrated and then diluted with ethyl acetate (EtOAc) and acidified with 1N hydrochloric acid (HCl). 9. The organic phase was washed with saturated aqueous sodium bicarbonate (NaHCO3) solution and then with saturated sodium chloride (NaCl) solution. 10. The organic phase was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated to give 2-(4,4-difluorocyclohexyl)acetic acid as a yellow solid. 1H NMR (400 MHz, DMSO-d6) δ ppm: 12.13 (1H, br.s.), 2.06-2.28 (3H, m), 1.92-2.03 (1H, m), 1.72-1.91 (4H, m), 1.31-1.48 (1H, m), 1.10-1.31 (2H, m).

References

[1] Patent: US2006/264489, 2006, A1. Location in patent: Page/Page column 78
[2] Patent: WO2010/103429, 2010, A1. Location in patent: Page/Page column 34-35
[3] Patent: US2013/183269, 2013, A1. Location in patent: Paragraph 1216; 1217
[4] Patent: US2015/23913, 2015, A1. Location in patent: Paragraph 1461-1462
[5] Patent: WO2015/5901, 2015, A1. Location in patent: Page/Page column 517; 518

ethyl 2-(4,4-difluorocyclohexyl)acetate Preparation Products And Raw materials

Raw materials

Preparation Products

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ethyl 2-(4,4-difluorocyclohexyl)acetate Suppliers

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915213-54-6, ethyl 2-(4,4-difluorocyclohexyl)acetateRelated Search:


  • ethyl 2-(4,4-difluorocyclohexyl)acetate
  • Cyclohexaneacetic acid, 4,4-difluoro-, ethyl ester
  • 4,4-Difluorocyclohexaneacetic acid ethyl ester
  • 915213-54-6