Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)
- Product Name
- Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)
- CAS No.
- 265108-36-9
- Chemical Name
- Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)
- Synonyms
- 4,4-Difluoro-cyclohexanecarbaldehyde;4,4-DIFLU0R0 CYCLOHEXANECARBOXALDEHYDE;Cyclohexanecarboxaldehyde, 4,4-difluor;4,4-difluorocyclohexane-1-carbaldehyde;4,4-Difluoro Cyclohexanecarboxaldehyde;Cyclohexanecarboxaldehyde, 4,4-difluoro-;4,4-difluorocyclohexane-1-carbaldehyde 95%;Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)
- CBNumber
- CB21048522
- Molecular Formula
- C7H10F2O
- Formula Weight
- 148.15
- MOL File
- 265108-36-9.mol
Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) Property
- Boiling point:
- 165.0±40.0 °C(Predicted)
- Density
- 1.10±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C7H10F2O/c8-7(9)3-1-6(5-10)2-4-7/h5-6H,1-4H2
- InChIKey
- DNSDOTKSZMHDOR-UHFFFAOYSA-N
- SMILES
- C1(C=O)CCC(F)(F)CC1
Safety
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2913000090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- MNO000202
- Product name
- 4,4-Difluorocyclohexanecarboxaldehyde
- Packaging
- 1g
- Price
- $427
- Updated
- 2025/07/31
- Product number
- D526223
- Product name
- 4,4-Difluorocyclohexanecarbaldehyde
- Packaging
- 100mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- D526223
- Product name
- 4,4-Difluorocyclohexanecarbaldehyde
- Packaging
- 50mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- FD104547
- Product name
- 4,4-difluorocyclohexane-1-carbaldehyde
- Packaging
- 500mg
- Price
- $200
- Updated
- 2021/12/16
- Product number
- 064642
- Product name
- 4,4-Difluorocyclohexanecarboxaldehyde
- Purity
- 97%
- Packaging
- 250mg
- Price
- $146
- Updated
- 2021/12/16
Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) Chemical Properties,Usage,Production
Uses
4,4-Difluorocyclohexanecarbaldehyde is used in the preparation of heteroaryl acid derivative and methods for treating oxalate-related diseases.
Synthesis
178312-48-6
265108-36-9
Oxalyl chloride (0.35 mL, 4.16 mmol) was dissolved in anhydrous dichloromethane (15.0 mL) under nitrogen protection and cooled to -78 °C. Subsequently, dimethyl sulfoxide (0.27 mL, 3.84 mmol) was slowly added dropwise and stirred at -78 °C for 15 min. Next, a solution of (4,4-difluorocyclohexyl)methanol (0.48 g, 3.20 mmol) in anhydrous dichloromethane (10 mL) was added dropwise. The reaction mixture was continued to be stirred at -78 °C for 1 hour. After that, triethylamine (1.27 mL, 9.60 mmol) was added slowly and dropwise. The reaction mixture was gradually warmed to room temperature and subsequently concentrated to dryness under reduced pressure. The crude product was dissolved in ether (30 mL) and washed sequentially with saturated aqueous sodium bicarbonate solution and ammonium chloride solution (30 mL each). The organic layer was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 4,4-difluorocyclohexanecarboxaldehyde (0.39 g, 82% yield), which could be used in subsequent reactions without further purification.1H NMR (DMSO-d6) δ: 9.61 (s, 1H), 2.05-1.73 (m, 7H), 1.64-1.51 (m, 2H).
References
[1] Patent: WO2014/144836, 2014, A2. Location in patent: Paragraph 0095; 0996
[2] European Journal of Medicinal Chemistry, 2016, vol. 111, p. 138 - 159
[3] Patent: WO2014/184561, 2014, A1. Location in patent: Page/Page column 72
[4] Journal of Medicinal Chemistry, 2017, vol. 60, # 7, p. 2780 - 2789
[5] Patent: WO2009/65035, 2009, A1. Location in patent: Page/Page column 81-82
Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) Preparation Products And Raw materials
Raw materials
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View Lastest Price from Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) manufacturers
- Product
- Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) 265108-36-9
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-11
- Product
- Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) 265108-36-9
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-09
- Product
- Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) 265108-36-9
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2020-02-04