ChemicalBook--->CAS DataBase List--->115170-40-6

115170-40-6

115170-40-6 Structure

115170-40-6 Structure
IdentificationBack Directory
[Name]

5-BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE
[CAS]

115170-40-6
[Synonyms]

5-broMo-2
5-Bromo-7-azaindoline
3-dihydro-1H-pyrrolo[2
5-BROMO-2,3-DIHYDRO-7-AZAINDOLE
5-Bromo-2,3-dihydro-7-azaindole 95%
5-broMo-1H,2H,3H-pyrrolo[2,3-b]pyridine
BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE
5-BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-2,3-dihydro-
5-BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE ISO 9001:2015 REACH
[EINECS(EC#)]

634-550-3
[Molecular Formula]

C7H7BrN2
[MDL Number]

MFCD06659750
[MOL File]

115170-40-6.mol
[Molecular Weight]

199.05
Chemical PropertiesBack Directory
[Melting point ]

186-191 (Decomposition)
[Boiling point ]

315.8±42.0 °C(Predicted)
[density ]

1.606
[Fp ]

136℃
[storage temp. ]

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

solid
[pka]

9.31±0.20(Predicted)
[color ]

Brown
[InChI]

1S/C7H7BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3-4H,1-2H2,(H,9,10)
[InChIKey]

UZGNFPCHQUHZAI-UHFFFAOYSA-N
[SMILES]

Brc1cnc2NCCc2c1
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
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

5-Bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is a useful intermediate for organic synthesis.
[Synthesis]

2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE

10592-27-5

5-BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE

115170-40-6

a) 16.8 g (0.14 mol) of 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine, 24.13 g (0.143 mol) of 48% hydrobromic acid and 260 g of methylene chloride were added to a reaction flask and stirred thoroughly to obtain reaction mixture C; b) The temperature of reaction mixture C was controlled at 25~30°C, and 20.20 g of 20% hydrogen peroxide solution was added slowly dropwise. hydrogen peroxide solution to obtain mixture D; c) Neutralize mixture D using 60 g of saturated aqueous sodium bisulfite solution until the red color of the reaction solution completely disappeared, and carry out partitioning to obtain the organic phase E and the aqueous phase F; d) Wash the organic phase E with 200 g of water; e) Recover the dichloromethane solvent from the organic phase E obtained in step d) to obtain 26.6 g of 5-bromo-2,3-dihydro-1H-pyrrolo[ 2,3-b]pyridine in 95.6% yield and the product was ≥99% pure by liquid chromatography.

[References]

[1] Patent: CN107987076, 2018, A. Location in patent: Paragraph 0048-0053; 0064-0069; 0074; 0080-0085
[2] Patent: CN105461718, 2016, A. Location in patent: Paragraph 0016
[3] Patent: WO2004/78757, 2004, A2. Location in patent: Page 48; 50-51
[4] Patent: WO2015/157504, 2015, A1. Location in patent: Page/Page column 37
[5] Patent: EP1782811, 2007, A1. Location in patent: Page/Page column 63
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE(115170-40-6)1HNMR
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