| Identification | More | [Name]
2,3-Difluorobenzyl alcohol | [CAS]
75853-18-8 | [Synonyms]
2,3-DIFLUOROBENZYL ALCOHOL
RARECHEM AL BD 0211
(2,3-Difluorophenyl)methanol
2,3-Difluorobenzyl alcohol 98%
2,3-Difluorobenzylalcohol98%
2,3-Difluorophenyl alcohol | [Molecular Formula]
C7H6F2O | [MDL Number]
MFCD00010312 | [Molecular Weight]
144.12 | [MOL File]
75853-18-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to pale brown liquid | [Boiling point ]
101.45°C (rough estimate) | [density ]
1.282 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.492(lit.)
| [Fp ]
201 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [pka]
13.61±0.10(Predicted) | [color ]
Clear colorless to pale brown | [Specific Gravity]
1.282 | [Water Solubility ]
Slightly soluble in water. | [BRN ]
7089243 | [InChI]
1S/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2 | [InChIKey]
JSFGDUIJQWWBGY-UHFFFAOYSA-N | [SMILES]
OCc1cccc(F)c1F | [CAS DataBase Reference]
75853-18-8(CAS DataBase Reference) | [NIST Chemistry Reference]
2,3-Difluorobenzyl alcohol(75853-18-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R41:Risk of serious damage to eyes.
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 .
S39:Wear eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29062990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Dam. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to pale brown liquid | [Uses]
It is used to produce 1-bromomethyl-2,3-difluoro-benzene with reagent PBr3 and solvent toluene at the temperature of 100°C for 1 hour. 2,3-Difluorobenzyl alcohol may be used in chemical synthesis studies. | [Definition]
ChEBI: 2,3-difluorobenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by fluoro groups at positions 2 and 3 respectively. It is an organofluorine compound and a member of benzyl alcohols. | [Synthesis]
Step 1 (MW-Si): sodium borohydride (5.3 g, 140.84 mmol) was slowly added to a methanolic solution (200 mL) of 2,3-difluorobenzaldehyde (20 g, 140.84 mmol) in three batches (each batch was separated by more than 25 min) at 0 °C. The temperature rose to 50°C due to exothermic during the reaction. The reaction mixture was continued to be stirred for 1 hour and then the solvent was removed by distillation under reduced pressure. Subsequently, the residue was extracted by adding ethyl acetate and saturated ammonium chloride solution to the residue. After separation of the organic layer, the aqueous layer was extracted again with ethyl acetate. All organic layers were combined, washed sequentially with water and saturated brine, and then dried with anhydrous sodium sulfate. Finally, 20 g of MW-Si (2,3-difluorobenzyl alcohol) was obtained by vacuum concentration as a colorless liquid, which could be used in subsequent steps without further purification. | [References]
[1] Patent: WO2014/140279, 2014, A1. Location in patent: Page/Page column 88; 169
[2] European Journal of Medicinal Chemistry, 2018, vol. 143, p. 1345 - 1360 |
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