3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE
- Product Name
- 3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE
- CAS No.
- 20356-45-0
- Chemical Name
- 3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE
- Synonyms
- AKOS BBS-00006916;3-(CYANOACETYL)INDOLE;3-Cyanoacetyl-1H-indole;3-(2-Cyanoacetyl)-1H-indole;β-Oxo-1H-indole-3-propanenitrile;1H-Indole-3-propanenitrile, β-oxo-;3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE;3-(1H-INDOL-3-YL)-3-OXOPROPANENITRILE;3-(1H-indol-3-yl)-3-keto-propionitrile
- CBNumber
- CB4212977
- Molecular Formula
- C11H8N2O
- Formula Weight
- 184.19
- MOL File
- 20356-45-0.mol
3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE Property
- Melting point:
- 241°C
- Boiling point:
- 447.2±25.0 °C(Predicted)
- Density
- 1.285±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Dimethylformamide
- form
- Solid
- pka
- 8.39±0.30(Predicted)
- color
- White to Light yellow to Light orange
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- C3197
- Product name
- 3-(Cyanoacetyl)indole
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $171
- Updated
- 2025/07/31
- Product number
- C3197
- Product name
- 3-(Cyanoacetyl)indole
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $517
- Updated
- 2025/07/31
- Product number
- C962220
- Product name
- 3-Cyanoacetylindole
- Packaging
- 2g
- Price
- $745
- Updated
- 2021/12/16
- Product number
- 8627
- Product name
- 3-Cyanoacetylindole
- Packaging
- 250mg
- Price
- $860
- Updated
- 2021/12/16
- Product number
- FC20630
- Product name
- 3-Cyanoacetylindole
- Packaging
- 2g
- Price
- $961
- Updated
- 2021/12/16
3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE Chemical Properties,Usage,Production
Chemical Properties
Solid
Uses
3-Cyanoacetylindole (cas# 20356-45-0) is a compound useful in organic synthesis.
Synthesis
120-72-9
372-09-8
20356-45-0
GENERAL METHOD: Cyanoacetic acid (0.363 g, 4.26 mmol) was dissolved in acetic anhydride (8 mL), stirred and heated to 50 °C until the solid was completely dissolved. Indole (0.5 g, 4.26 mmol) was then added and the reaction mixture was heated to 85°C and maintained for 5 minutes. Upon completion of the reaction, the mixture was cooled to 0 °C and the precipitate was collected by diafiltration and washed with ice-cold methanol (2 x 5 mL) to afford 3-(1H-indol-3-yl)-3-oxopropanenitrile in 76% yield. Next, an ethanol solution (10 mL) of 3-oxo-3-(1H-indol-3-yl)propionitrile (1.08 mmol) was mixed with an ethanol solution (10 mL) of 4-chlorobenzaldehyde (1.14 mmol) and heated to 70 °C. Piperidine (2 drops) was then added and heating was continued to reflux for 2 hours. At the end of the reaction, the mixture was cooled and the solvent was removed under reduced pressure to give a yellow solid. The crude product was purified by ethanol recrystallization to give the target compound (14) as a yellow solid in 80% yield with a melting point of 230-232 °C.
References
[1] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 1, p. 109 - 114
[2] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 6, p. 810 - 813
[3] Synthesis, 2004, # 16, p. 2760 - 2765
[4] Patent: WO2008/87529, 2008, A1. Location in patent: Page/Page column 126
[5] Patent: CN107698565, 2018, A. Location in patent: Paragraph 0037; 0038
3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
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