3-(5-BROMOINDOL-3-YL)-3-OXOPROPANENITRILE

Base Information

• Chemical Name: 3-(5-BROMOINDOL-3-YL)-3-OXOPROPANENITRILE
• CAS No.: 1020722-10-4
• Molecular Formula: C11H7BrN2O
• Molecular Weight: 263.093
• Hs Code.: 2933990090
• Mol file: 1020722-10-4.mol

Synonyms:3-(5-BROMOINDOL-3-YL)-3-OXOPROPANENITRILE;3-(5-bromo-1H-indol-3-yl)-3-oxopropanenitrile

Chemical Property of 3-(5-BROMOINDOL-3-YL)-3-OXOPROPANENITRILE

Chemical Property:

• Boiling Point: 496.0±35.0 °C(Predicted)
• PKA: 8.00±0.30(Predicted)
• PSA: 56.65000
• Density: 1.649±0.06 g/cm3(Predicted)
• LogP: 3.02678

Purity/Quality:

97% ^*data from raw suppliers

3-(5-Bromo-1H-indol-3-yl)-3-oxopropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(5-BROMOINDOL-3-YL)-3-OXOPROPANENITRILE

There total 1 articles about 3-(5-BROMOINDOL-3-YL)-3-OXOPROPANENITRILE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

5-bromo-1H-indole (10075-50-0) + cyanoacetic acid (372-09-8) → 3-(5-bromo-1H-indol-3-yl)-3-oxopropanenitrile (1020722-10-4)

Guidance literature:

With propionic acid anhydride; at 65 - 75 ℃; for 0.116667h;

Reference yield: 95.0%

3-(5-bromo-1H-indol-3-yl)-3-oxopropanenitrile (1020722-10-4) + C12H13ClO4 → (2E,4Z)-2-(5-bromo-1H-indole-3-carbonyl)-5-chloro-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienenitrile

Guidance literature:

3-(5-bromo-1H-indol-3-yl)-3-oxopropanenitrile; With piperidine; In ethanol; for 0.0833333h;

C₁₂H₁₃ClO₄; In ethanol; at 70 ℃;

DOI:10.1016/j.bmcl.2017.02.052

Reference yield: 95.0%

3-(5-bromo-1H-indol-3-yl)-3-oxopropanenitrile (1020722-10-4) + 4-chlorobenzaldehyde (104-88-1) + cyclododecanone (830-13-7) → 2-(5-bromo-1H-indol-3-yl)-4-(4-chlorophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

Guidance literature:

With ammonium acetate; In ethanol; for 2h; Reflux;

DOI:10.3762/bjoc.14.269

upstream raw materials:

5-bromo-1H-indole

cyanoacetic acid

Downstream raw materials:

C₂₉H₁₈Br₂N₆O

C₂₉H₁₉BrN₆O

C₂₉H₁₈BrClN₆O

C₂₉H₁₈Br₂N₆O

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