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885223-72-3

885223-72-3 Structure

885223-72-3 Structure
IdentificationBack Directory
[Name]

5-BROMO-6-METHYL-1H-INDAZOLE
[CAS]

885223-72-3
[Synonyms]

-1H-indazoL
5-Bromo-6-methyL
5-Bromo-6-methylindazole
1H-Indazole, 5-broMo-6-Methyl-
[Molecular Formula]

C8H7BrN2
[MDL Number]

MFCD09026991
[MOL File]

885223-72-3.mol
[Molecular Weight]

211.06
Chemical PropertiesBack Directory
[Melting point ]

166-169°C
[Boiling point ]

344.6±22.0 °C(Predicted)
[density ]

1.654±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

solid
[pka]

13.21±0.40(Predicted)
[Appearance]

Yellow to brown Solid
[InChI]

InChI=1S/C8H7BrN2/c1-5-2-8-6(3-7(5)9)4-10-11-8/h2-4H,1H3,(H,10,11)
[InChIKey]

UTDBMGRTYFPTEC-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(Br)C(C)=C2)C=N1
Questions And AnswerBack Directory
[Uses]

5-Bromo-6-methyl-1H-indazole is a heterocyclic organic compound, and some literature reports that it can be used to prepare LRRK2 inhibitors.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-51
[WGK Germany ]

3
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMO-6-METHYL-1H-INDAZOLE(885223-72-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethanone, 1-(5-bromo-6-methyl-1H-indazol-1-yl)-

1202527-94-3

5-BROMO-6-METHYL-1H-INDAZOLE

885223-72-3

General procedure for the synthesis of 5-bromo-6-methyl-1H-indazole (compound A3) from 1-(5-bromo-6-methyl-1H-indazol-1-yl)ethanone: 1-(5-bromo-6-methyl-1H-indazol-1-yl)ethanone (3.90 g, 15.4 mmol) was suspended in methanol (12 mL) and 2.0 mol/L hydrochloric acid (39 mL). The mixture was stirred at 100 °C for 1 hour. After completion of the reaction, 10 mol/L aqueous potassium hydroxide (10 mL) was slowly added to the mixture under cooling in an ice bath. The precipitate was separated by filtration to afford the target compound 5-bromo-6-methyl-1H-indazole (compound A3, 3.20 g, yield: 97%) as colorless crystals. The product was analyzed by ESI-MS showing m/z: 211 [M + H]+; 1H-NMR (CDCl3) δ (ppm): 2.53 (s, 3H), 7.38 (d, J = 1.0 Hz, 1H), 7.96 (s, 1H), 7.98 (d, J = 1.0 Hz, 1H).

[References]

[1] Patent: EP2308880, 2011, A1. Location in patent: Page/Page column 41
[2] Patent: WO2011/72488, 2011, A1. Location in patent: Page/Page column 17; 42
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