ChemicalBook--->CAS DataBase List--->222978-01-0

222978-01-0

222978-01-0 Structure

222978-01-0 Structure
IdentificationBack Directory
[Name]

(4-BROMO-3-FLUOROPHENYL)METHANOL
[CAS]

222978-01-0
[Synonyms]

4-Bromo-3-fluorobenzenemethanol
(4-BROMO-3-FLUOROPHENYL)METHANOL
4-Bromo-3-fluorobenzylalcohol,96%
BenzeneMethanol, 4-broMo-3-fluoro-
(4-BROMO-3-FLUOROPHENYL)METHANOL ISO 9001:2015 REACH
[Molecular Formula]

C7H6BrFO
[MDL Number]

MFCD08236860
[MOL File]

222978-01-0.mol
[Molecular Weight]

205.02
Chemical PropertiesBack Directory
[Melting point ]

44.0 to 48.0 °C
[Boiling point ]

260℃
[density ]

1.658
[Fp ]

111℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

13.70±0.10(Predicted)
[color ]

White to Almost white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2906290090
Hazard InformationBack Directory
[Uses]

(4-Bromo-3-fluorophenyl)methanol is used to prepare triazolopyridyl compounds, which can be used as a prodrug of RIPK1 inhibitors.
[Synthesis]

4-Bromo-3-fluorobenzoic acid

153556-42-4

(4-BROMO-3-FLUOROPHENYL)METHANOL

222978-01-0

GENERAL METHODS: Borane-tetrahydrofuran complex (BH3-THF, 89 mL, 89.49 mmol) was slowly added dropwise to a stirred solution of 3-fluoro-4-bromobenzoic acid (9.8 g, 44.75 mmol) in tetrahydrofuran (THF, 200 mL) at 25 °C. The dropwise addition was controlled to be completed in 10 min, and the reaction was carried out under nitrogen protection. The reaction mixture was stirred continuously at room temperature for 2 days. Upon completion of the reaction, the reaction was carefully quenched with 2 M sodium carbonate solution (Na2CO3, 200 mL) and subsequently extracted with ether (Et2O, 2 x 500 mL). The organic phases were combined, washed with saturated brine (400 mL), dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated under reduced pressure to give a pale yellow oil. The crude product was purified by fast silica gel column chromatography, the eluent was a mixture of heptane and ethyl acetate (EtOAc) with a gradient elution ratio of 0 to 70% ethyl acetate. The purified fraction was collected and concentrated to dryness under reduced pressure to give 4-bromo-3-fluorobenzyl alcohol (8.65 g, 94% yield) as a white solid.

[References]

[1] Journal of Medicinal Chemistry, 2014, vol. 57, # 21, p. 9096 - 9104
[2] Journal of Medicinal Chemistry, 2003, vol. 46, # 14, p. 2973 - 2984
[3] Synlett, 2014, vol. 25, # 1, p. 123 - 127
[4] European Journal of Medicinal Chemistry, 2018, vol. 150, p. 506 - 524
[5] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 10, p. 1257 - 1260
Spectrum DetailBack Directory
[Spectrum Detail]

(4-BROMO-3-FLUOROPHENYL)METHANOL(222978-01-0)1HNMR
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