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ChemicalBook--->CAS DataBase List--->29922-56-3

29922-56-3

29922-56-3 Structure

29922-56-3 Structure
IdentificationMore
[Name]

2-BROMO-4-HYDROXYMETHYL-PHENOL
[CAS]

29922-56-3
[Synonyms]

RARECHEM AL BD 0697
3-broMo-4-hydroxybenzylalchol
2-BROMO-4-HYDROXYMETHYL-PHENOL
3-BROMO-4-HYDROXYBENZYL ALCOHOL
3-Bromo-4-hydroxybenzenemethanol
Benzenemethanol, 3-bromo-4-hydroxy-
3-Bromo-4-hydroxybenzyl alcohol, (3-Bromo-4-hydroxyphenyl)methanol
[EINECS(EC#)]

249-957-8
[Molecular Formula]

C7H7BrO2
[MDL Number]

MFCD00016869
[Molecular Weight]

203.03
[MOL File]

29922-56-3.mol
Chemical PropertiesBack Directory
[Melting point ]

128-132℃
[Boiling point ]

307.8±27.0 °C(Predicted)
[density ]

1.722±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

8.21±0.18(Predicted)
[color ]

Yellow
[CAS DataBase Reference]

29922-56-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280g-P305+P351+P338
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2908190090
Hazard InformationBack Directory
[Chemical Properties]

off-white crystalline
[Synthesis]

Methyl 3-bromo-4-hydroxybenzoate

29415-97-2

2-BROMO-4-HYDROXYMETHYL-PHENOL

29922-56-3

Methyl 3-bromo-4-hydroxybenzoate (12, 0.185 g, 0.80 mmol) in anhydrous CH2Cl2 (14 mL) was added slowly to a THF solution of DIBAL-H (1.0 M, 1.92 mL, 1.92 mmol) at -78 °C. The reaction mixture was stirred at -78 °C for 1 h before the reaction was quenched by addition of MeOH and water. Subsequently, saturated potassium sodium tartrate solution was added and stirring was continued for 1 hour. The aqueous layer was extracted with ethyl acetate (3 x 20 mL), the organic layers were combined, washed sequentially with 10% aqueous NaHCO3 and water, dried over anhydrous Na2SO4, filtered and concentrated. The residue was purified by fast column chromatography (eluent: ethyl acetate/hexane, 1:1) to afford the target product 3-bromo-4-hydroxybenzenemethanol (13, 0.111 g, 68% yield) as a white solid. The product characterization data were as follows: melting point 125 °C; elemental analysis (measured value: C, 41.45; H, 3.42. theoretical value of C7H7BrO2: C, 41.41; H, 3.48); thin-layer chromatography Rf-value of 0.6 (unfolding reagent: ethyl acetate/hexanes, 65:35); IR (Nujol) νmax 3510, 3060, 2982, 1610 , 1505, 1425, 1270, 905, 750, 710 cm-1; 1H NMR (300MHz, DMSO-d6) δ: 7.38 (d, J=2.0Hz, 1H), 7.08 (dd, J=2.0,8.2Hz, 1H), 6.87 (d, J=8.2Hz, 1H), 5.07 (t, J=5.7 Hz, 1H), 4.34 (d, J=5.7Hz, 2H); 13C NMR (75MHz, DMSO-d6) δ: 153.3, 135.4, 131.6, 127.6, 116.5, 109.4, 62.5.

[References]

[1] Tetrahedron, 2011, vol. 67, # 34, p. 6300 - 6307
Spectrum DetailBack Directory
[Spectrum Detail]

2-BROMO-4-HYDROXYMETHYL-PHENOL(29922-56-3)1HNMR
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