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3-Bromo-4-pyridinol

3-Bromo-4-pyridinol structure

CAS No:
36953-41-0
Formula:
C5H4BrNO
Chemical Name:
3-Bromo-4-pyridinol
Synonyms:
4-Pyridinol,3-bromo-;3-Bromo-4-pyridinol;3-Bromo-4-hydroxypyridine;3-Bromo-1H-pyridin-4-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Bromo-4-pyridinol Basic Attributes

Molecular Weight：

174

Exact Mass：

174.00

DSSTox ID：

DTXSID40344798

HScode：

2933399090

Characteristics

PSA：

29.1

XLogP3：

Density：

1.8±0.1 g/cm3

Melting Point：

229-230 °C

Boiling Point：

244.3°C at 760 mmHg

Flash Point：

158.3±22.3 °C

Refractive Index：

1.614

3-Bromo-4-pyridinol Use and Manufacturing

Step 36-2.; To a solution of T96-2 (8.0 g, 31.3 mmol) in THF (307 mL) at -90° C. was added slowly a solution of n-BuLi (1.15 M in hexanes, 71 mL). The mixture was stirred for 40 min, then water (10 eq) was added and the mixture warmed to room temperature. The solvent was removed under reduced pressure and the resulting residue purified by flash chromatography (acetone:MeOH, 10:1) to give 3.22 g (60percent) of T 96-3.Concentrated sulfuric acid (85.0mL) and the 3-bromo-4-aminopyridine (113.0g, 0.65mol) were added successively to the distilled water (550.0mL) at 0°C, and then NaNOStep 36-2.; To a solution of T96-2 (8.0 g, 31.3 mmol) in THF (307 mL) at -90 C. was added slowly a solution of n-BuLi (1.15 M in hexanes, 71 mL). The mixture was stirred for 40 min, then water (10 eq) was added and the mixture warmed to room temperature. The solvent was removed under reduced pressure and the resulting residue purified by flash chromatography (acetone:MeOH, 10:1) to give 3.22 g (60%) of T 96-3.To a stirred solution of 3, 5-dibromopyridin-4-ol (IN-11; 2.5 g, 0.00988 mol) in dry tetrahydrofuran (100 mL) at -100 C was added 1.6 M t-butyl lithium in hexane (15.6 mL, 0.0247 mol) drop wise under nitrogen atmosphere and stirred for 2 h at -100 C. The reaction mixture was quenched with water (1.77 g, 0.0988 mol) at -100 C and allows the reaction mixture to RT slowly. The reaction mixture was evaporated. The obtained crude was purified with silica gel chromatography by 0 -12% methanol in dichloromethane to afford the title compound. 1H NMR (400 MHz, DMSO-i¾) delta: 11.71 (s, 1 H), 8.15 (s, 1 H), 7.66-7.65 (d, J= 5.6 Hz, 1 H), 6.20-6.18 (d, J=6.4 Hz, 1 H). MS (M+l): 173.8

Computed Properties

Molecular Weight:174.00
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:172.94763
Monoisotopic Mass:172.94763
Topological Polar Surface Area:29.1
Heavy Atom Count:8
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Bromo-4-hydroxypyridine

CAS No.: 36953-41-0

Content: 99.00%

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Shaanxi Cuikang Pharmaceutical Technolog Contact Supplier

CN
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3-Bromo-4-hydroxypyridine

CAS No.: 36953-41-0

Grade: Industrial Grade

Content: 99%

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