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915030-40-9

915030-40-9 Structure

915030-40-9 Structure
IdentificationBack Directory
[Name]

(4,4-DIFLUOROCYCLOHEXYL)ACETIC ACID
[CAS]

915030-40-9
[Synonyms]

(4,4-DIFLUOROCYCLOHEXYL)ACETIC ACID
4,4-Difluoro-cyclohexaneacetic acid
2-(4,4-difluorocyclohexyl)acetic acid
[Molecular Formula]

C8H12F2O2
[MDL Number]

MFCD11042913
[MOL File]

915030-40-9.mol
[Molecular Weight]

178.18
Chemical PropertiesBack Directory
[Boiling point ]

265.0±10.0℃ (760 Torr)
[density ]

1.19±0.1 g/cm3 (20 ºC 760 Torr)
[Fp ]

114.1±19.0℃
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.72±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2916200090
Spectrum DetailBack Directory
[Spectrum Detail]

(4,4-DIFLUOROCYCLOHEXYL)ACETIC ACID(915030-40-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

ethyl 2-(4,4-difluorocyclohexyl)acetate

915213-54-6

(4,4-DIFLUOROCYCLOHEXYL)ACETIC ACID

915030-40-9

General procedure for the synthesis of 2-(4,4-difluorocyclohexyl)acetic acid from ethyl 2-(4,4-difluorocyclohexyl)acetate: ethyl 2-(4,4-difluorocyclohexyl)acetate (3.2 g, 15.5 mmol) was dissolved in methanol (5 mL), lithium hydroxide (559 mg, 23.3 mmol) was added, and the reaction was stirred at room temperature overnight. Upon completion of the reaction, the pH of the reaction mixture was adjusted to 4 with 3N hydrochloric acid and then extracted with dichloromethane. The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give 2-(4,4-difluorocyclohexyl)acetic acid (3 g, 100%) as a brown oil.

[References]

[1] Patent: US2006/264489, 2006, A1. Location in patent: Page/Page column 78
[2] Patent: US2013/183269, 2013, A1. Location in patent: Paragraph 1216; 1217
[3] Patent: US2015/23913, 2015, A1. Location in patent: Paragraph 1461-1462
[4] Patent: WO2015/5901, 2015, A1. Location in patent: Page/Page column 517; 518
[5] Patent: WO2006/122200, 2006, A1. Location in patent: Page/Page column 53
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