4,4-Difluorocyclohexanecarboxylic acid
- Product Name
- 4,4-Difluorocyclohexanecarboxylic acid
- CAS No.
- 122665-97-8
- Chemical Name
- 4,4-Difluorocyclohexanecarboxylic acid
- Synonyms
- 4,4-difluorocyclohexane-1-carboxylic acid;4,4-DIFLUOROCYCLOHEXYLCARBOXYLIC ACID;4,4 - Difluorocyc;Maraviroc Intermediate 1;1-Carboxy-4,4-difluorocyclohexane;4,4 - Difluorocyclohexanecarboxylicd;4,4-DifluorocyclohexanecarboxylicAci;4,4-diflurocyclohexane carboxylic acid;4,4-DIFLUOROCYCLOHEXANECARBOXYLIC ACID;4,4-DifluorocyclohexanecarboxylicAcid>
- CBNumber
- CB4231062
- Molecular Formula
- C7H10F2O2
- Formula Weight
- 164.15
- MOL File
- 122665-97-8.mol
4,4-Difluorocyclohexanecarboxylic acid Property
- Melting point:
- 103-107 °C
- Boiling point:
- 241.1±40.0 °C(Predicted)
- Density
- 1.24±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol
- pka
- 4.06±0.10(Predicted)
- form
- Solid
- color
- White
- InChI
- InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)
- InChIKey
- HYIUDFLDFSIXTR-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)CCC(F)(F)CC1
- CAS DataBase Reference
- 122665-97-8(CAS DataBase Reference)
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
- 684651
- Product name
- 4,4-Difluorocyclohexanecarboxylic acid
- Purity
- 97%
- Packaging
- 250mg
- Price
- $113
- Updated
- 2023/06/20
- Product number
- D4330
- Product name
- 4,4-Difluorocyclohexanecarboxylic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 1g
- Price
- $31
- Updated
- 2025/07/31
- Product number
- D4330
- Product name
- 4,4-Difluorocyclohexanecarboxylic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $101
- Updated
- 2025/07/31
- Product number
- D445695
- Product name
- 4,4-Difluorocyclohexanecarboxylic Acid
- Packaging
- 2.5g
- Price
- $150
- Updated
- 2021/12/16
- Product number
- FD21869
- Product name
- 4,4-Difluorocyclohexanecarboxylic acid
- Packaging
- 10g
- Price
- $170
- Updated
- 2021/12/16
4,4-Difluorocyclohexanecarboxylic acid Chemical Properties,Usage,Production
Chemical Properties
4,4-Difluorocyclohexanecarboxylic acid is White Solid
Uses
4,4-Difluorocyclohexanecarboxylic acid is a di-substituted cyclohexane carboxylic acids used in the synthesis of macrolide antibiotics.
Synthesis
178312-47-5
122665-97-8
The general procedure for the synthesis of 4,4-difluorocyclohexanecarboxylic acid from ethyl 4,4-difluorocyclohexanecarboxylate was as follows: ethyl 4,4-difluorocyclohexanecarboxylate (0.385 g, 2.003 mmol) was dissolved in THF (12 mL), and H2O (6 mL) was added, followed by lithium hydroxide monohydrate (0.420 g, 10.02 mmol). The reaction mixture was stirred vigorously at room temperature overnight. Upon completion of the reaction, the mixture was diluted with EtOAc and the pH was adjusted to 4 with 1 M HCl. The organic and aqueous layers were separated, and the aqueous layer was then extracted with EtOAc (1 time). The organic phases were combined, washed with brine, dried over MgSO4 and concentrated to dryness to give 4,4-difluorocyclohexanecarboxylic acid (318 mg, 97% yield) as a white solid.1H NMR (400 MHz, DMSO-d6): δ 12.28 (s, 1H), 2.40 (m, 1H), 2.02-1.75 (m, 6H), 1.59 (m, 2H) .
References
[1] Patent: US2014/275080, 2014, A1. Location in patent: Paragraph 0428
[2] Patent: WO2013/13188, 2013, A1. Location in patent: Paragraph 00313; 00314
[3] Patent: US9416132, 2016, B2. Location in patent: Page/Page column 134; 135
[4] Organic Letters, 2018, vol. 20, # 16, p. 4959 - 4963
[5] Patent: US2008/146605, 2008, A1. Location in patent: Page/Page column 39-40
4,4-Difluorocyclohexanecarboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4,4-Difluorocyclohexanecarboxylic acid manufacturers
- Product
- 4,4-Difluorocyclohexanecarboxylic acid 122665-97-8
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 30tons/month
- Release date
- 2023-02-22
- Product
- 4,4-Difluorocyclohexanecarboxylic acid 122665-97-8
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-09
- Product
- 4,4-Difluorocyclohexanecarboxylic acid 122665-97-8
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 20tons
- Release date
- 2023-10-07