1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile
- Product Name
- 1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile
- CAS No.
- 4414-87-3
- Chemical Name
- 1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile
- Synonyms
- 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl);3-(Cyanomethyl)pyrrolo[2,3-b]pyridine;1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile
- CBNumber
- CB91872050
- Molecular Formula
- C9H7N3
- Formula Weight
- 157.17
- MOL File
- 4414-87-3.mol
1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile Property
- Melting point:
- 144 °C(Solv: benzene (71-43-2))
- Boiling point:
- 456.7±37.0 °C(Predicted)
- Density
- 1.24±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.95±0.20(Predicted)
- Appearance
- brown powder
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- P441480
- Product name
- 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
- Packaging
- 50mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- W6311
- Product name
- 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
- Packaging
- 250mg
- Price
- $182
- Updated
- 2021/12/16
- Product number
- CHM0380885
- Product name
- 2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)ACETONITRILE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $499.55
- Updated
- 2021/12/16
- Product number
- 132349
- Product name
- 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $1800
- Updated
- 2021/12/16
- Product number
- 132349
- Product name
- 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
- Purity
- 97%
- Packaging
- 10g
- Price
- $2700
- Updated
- 2021/12/16
1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile Chemical Properties,Usage,Production
Synthesis
773837-37-9
5654-92-2
4414-87-3
N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine (5.60 g, 32.0 mmol) was used as a raw material and dissolved in N,N-dimethylformamide (20 mL). Subsequently, a solution of sodium cyanide (2.35 g, 48.2 mmol) in water (16 mL) was added to this solution. Acetic acid (5 mL) was added slowly and dropwise to the reaction mixture with stirring. The reaction system was heated to 110 °C and maintained at this temperature for 8 hours. Upon completion of the reaction, the mixture was cooled to room temperature, diluted with saturated aqueous potassium carbonate solution (30 mL) and extracted with ethyl acetate (3 x 40 mL). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give the crude product. Purification by fast column chromatography (eluent: ethyl acetate/hexane=50:50) afforded the target product 1H-pyrrolo[2,3-b]pyridine-3-acetonitrile (2.59 g, 52% yield) as a white crystalline solid. The product characterization data were as follows: melting point 135-137 °C (literature value 136-138 °C); thin-layer chromatography Rf value (50% ethyl acetate/hexane) 0.19; IR spectra (KBr, cm-1) 3089, 2888, 2248, 1611, 1585, 1538, 1420, 1337; 1H NMR (300 MHz, CDCl3) δ 3.85 (2H, s, CH2), 7.14-7.18 (1H, q, J=7.9,4.8 Hz, Ar-H), 7.40 (1H, s, Ar-H), 7.97-8.01 (1H, dd, J=7.9,1.5 Hz, Ar-H), 8.37-8.39 (1H, dd, J=4.8,1.5 Hz, Ar H), 11.92 (1H, br s, NH); 13C NMR (75 MHz, CDCl3) δ 14.6 (CH2), 102.8 (C), 116.0 (CH), 117.8 (C), 119.0 (C), 124.0 (CH), 127.1 (CH), 143.1 (CH), 148.9 (C); mass spectra ( ES+) m/z 158.0 [M+H]+ (100%).
References
[1] Tetrahedron, 2011, vol. 67, # 25, p. 4601 - 4611
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 13, p. 4752 - 4772
[3] Patent: WO2017/143134, 2017, A1. Location in patent: Page/Page column 20-21
1H-Pyrrolo[2,3-b]pyridine-3-acetonitrile Preparation Products And Raw materials
Raw materials
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