(3,3-Difluorocyclobutyl)methanol
- CAS No.
- 681128-39-2
- Chemical Name:
- (3,3-Difluorocyclobutyl)methanol
- Synonyms
- (3,3-Difluorocyclobutyl)m...;3,3-Difluoro-cyclobutanemethanol;(3,3-Difluorocyclobutyl)methanol;CyclobutaneMethanol, 3,3-difluoro-
- CBNumber:
- CB02465928
- Molecular Formula:
- C5H8F2O
- Molecular Weight:
- 122.11
- MDL Number:
- MFCD11877861
- MOL File:
- 681128-39-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Boiling point | 130.9±10.0 °C(Predicted) |
|---|---|
| Density | 1.2g/ml |
| refractive index | 1.40 |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | clear liquid |
| pka | 15.05±0.10(Predicted) |
| color | Colorless to Almost colorless |
| InChI | InChI=1S/C5H8F2O/c6-5(7)1-4(2-5)3-8/h4,8H,1-3H2 |
| InChIKey | MDZKTVVUZBIKGI-UHFFFAOYSA-N |
| SMILES | C1(CO)CC(F)(F)C1 |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS02 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226 | |||||||||
| Precautionary statements | P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| HS Code | 2905599890 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704 |
|
(3,3-Difluorocyclobutyl)methanol price More Price(51)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | SYX00114 | (3,3-Difluorocyclobutyl)methanol Aldrich | 681128-39-2 | 1g | $77.9 | 2026-04-30 | Buy |
| TCI Chemical | D5582 | (3,3-Difluorocyclobutyl)methanol >98.0%(GC) | 681128-39-2 | 200mg | $49 | 2026-04-30 | Buy |
| TCI Chemical | D5582 | (3,3-Difluorocyclobutyl)methanol >98.0%(GC) | 681128-39-2 | 1g | $175 | 2026-04-30 | Buy |
| Usbiological | 426761 | (3,3-Difluorocyclobutyl)methanol | 681128-39-2 | 100mg | $326 | 2026-06-03 | Buy |
| Usbiological | 426761 | (3,3-Difluorocyclobutyl)methanol | 681128-39-2 | 1g | $694 | 2026-06-03 | Buy |
(3,3-Difluorocyclobutyl)methanol Chemical Properties,Uses,Production
Uses
(3,3-Difluorocyclobutyl)methanol is an intermediate used to prepare diaminoalkane aspartic protease inhibitors.
Synthesis
107496-54-8
681128-39-2
Step 1: Synthesis of (3,3-difluorocyclobutyl)methanol Sodium borohydride (0.556 g, 14.70 mmol) was suspended in tetrahydrofuran (50 mL) and cooled to 0 °C. The methanol was then added to the mixture of sodium borohydride (0.556 g, 14.70 mmol). Subsequently, a solution of 3,3-difluorocyclobutanecarboxylic acid (2 g, 14.70 mmol) in tetrahydrofuran (50 mL) was added dropwise. After the dropwise addition, the reaction flask was removed from the ice bath and the reaction was stirred for 1 hour at room temperature. After that, the reaction mixture was cooled again to 0 °C and boron trifluoride-ether compound (1.862 mL, 14.70 mmol) was slowly added. The reaction was stirred at 0 °C overnight and gradually warmed up to room temperature. After completion of the reaction, the mixture was cooled again to 0 °C and the reaction was quenched with 95% ethanol (25 mL). After stirring in an ice bath for 1 h, the mixture was concentrated in vacuum. The residue was partitioned with dichloromethane and saturated saline and the organic phase was separated. The organic layer was dried over anhydrous sodium sulfate and concentrated in vacuo to afford the title compound (3,3-difluorocyclobutyl) methanol as a light tan oil (1.629 g, 9% yield). 1H NMR (300 MHz, CDCl3) δ: 2.31-2.38 (m, 3H), 2.60-2.66 (m, 2H), 3.67 (m, 2H); MS (DCI) m/z: 123 (M+H)+.
References
[1] Patent: WO2015/112445, 2015, A1. Location in patent: Page/Page column 162; 163
[2] Patent: US2016/376240, 2016, A1. Location in patent: Paragraph 0683
[3] Patent: WO2012/7869, 2012, A2. Location in patent: Page/Page column 85
[4] Patent: US2012/10183, 2012, A1. Location in patent: Page/Page column 40
[5] Patent: US2009/105306, 2009, A1. Location in patent: Page/Page column 32
(3,3-Difluorocyclobutyl)methanol Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Struchem Co., Ltd. | 0512-63009836 18994340901 | helen@struchem.com | China | 3973 | 60 |
| BTC Pharmaceutical CO. Ltd | +86-15716293042 15716293042 | info@btcpharm.com | China | 823 | 55 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Changzhou Huanling Chemical Co., Ltd. | 89803005 18206112582 | info@huanlingchem.com | China | 983 | 68 |
| Tetranov Biopharm | 13526569071 | sales@leadmedpharm.com | China | 7882 | 64 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Shanghai Ennopharm Co., Ltd. | +86 (21) 6435-5022 | China | 4263 | 65 | |
| SpringPharma Tech Co.,Ltd | +86-25-68710855, +86-25-68710897 | sales@springpharma.net | China | 1260 | 62 |
| Shanghai Sunway Pharmaceutical Technology Co., Ltd | 13761987713 | hxzheng@sunwaypharm.cn | China | 8663 | 57 |
| Heterochem | 027-88041443 13072715837 | sales@hetero-chem.com | China | 695 | 58 |
View Lastest Price from (3,3-Difluorocyclobutyl)methanol manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-02-26 | (3,3-Difluorocyclobutyl)methanol
681128-39-2
|
1kg | 98% | BTC Nantong Pharmaceuticals Technology Co.,Ltd | |||
 |
2019-12-26 | (3,3-DIFLUOROCYCLOBUTYL)METHANOL
681128-39-2
|
$6.60 | 1KG | 97%-99% | 1kg-1000kg | Career Henan Chemical Co |
-
- (3,3-Difluorocyclobutyl)methanol
681128-39-2
- 98%
- BTC Nantong Pharmaceuticals Technology Co.,Ltd
-
- (3,3-DIFLUOROCYCLOBUTYL)METHANOL
681128-39-2
- $6.60
- 97%-99%
- Career Henan Chemical Co
