| Identification | More | [Name]
3-(DIFLUOROMETHOXY)BROMOBENZENE | [CAS]
262587-05-3 | [Synonyms]
1-BROMO-3-(DIFLUOROMETHOXY)BENZENE
3-(DIFLUOROMETHOXY)BROMOBENZENE | [Molecular Formula]
C7H5BrF2O | [MDL Number]
MFCD00236233 | [Molecular Weight]
223.01 | [MOL File]
262587-05-3.mol |
| Chemical Properties | Back Directory | [Boiling point ]
196-197 °C(lit.) | [density ]
1.585 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.502(lit.)
| [Fp ]
199 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Light yellow | [InChI]
1S/C7H5BrF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H | [InChIKey]
NWBDGKNKAFGQQL-UHFFFAOYSA-N | [SMILES]
FC(F)Oc1cccc(Br)c1 | [CAS DataBase Reference]
262587-05-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29093090 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
liquid | [Synthesis]
1. In a dry reaction flask, 3-bromophenol (1.28 g, 7.39 mmol) was dissolved in DMF (12.0 mL).
2. Sodium 2-chloro-2,2-difluoroacetate (2.82 g, 18.49 mmol) and Cs2CO3 (4.82 g, 14.79 mmol) were added sequentially.
3. the reaction mixture was heated to 100 °C. Note that gas is released during the reaction and caution should be exercised.
4. After 2 hours of reaction, cool to room temperature and dilute the reaction mixture with EtOAc. 5.
5. Wash the organic layer with water and brine, and then extract the aqueous phase with EtOAc three times. 6.
6. All organic layers were combined, dried with anhydrous magnesium sulfate, filtered and concentrated.
7. The crude product was purified by silica gel column chromatography (eluent: 0-5% EtOAc in hexane solution) to afford the target compound T18.1 as an oil in 61% yield. The product could be used in the next reaction without further purification. | [References]
[1] Patent: WO2010/45258, 2010, A2. Location in patent: Page/Page column 179; 180
[2] Patent: WO2009/111056, 2009, A1. Location in patent: Page/Page column 151-152 |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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