2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile

Base Information

• Chemical Name: 2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile
• CAS No.: 915019-51-1
• Molecular Formula: C19H15BrN4O2
• Molecular Weight: 411.258
• Hs Code.: 2933499090
• Mol file: 915019-51-1.mol

Synonyms:2-(4-(6-bromo-3-nitroquinolin-4-ylamino)phenyl)-2-methyl propanenitrile;2-[4-(6-bromo-3-nitroquinolin-4-ylamino)phenyl]-2-methylpropionitrile;

Chemical Property of 2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile

Chemical Property:

• Vapor Pressure: 9.41E-12mmHg at 25°C
• Boiling Point: 540.6°C at 760 mmHg
• PKA: 2.69±0.50(Predicted)
• Flash Point: 280.7°C
• PSA: 94.53000
• Density: 1.518g/cm³
• LogP: 6.04648
• Storage Temp.: 2-8°C

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(4-((6-Bromo-3-nitroquinolin-4-yl)amino)-phenyl)-2-methylpropanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile

There total 10 articles about 2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile 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:

4-(2-cyanoprop-2-yl)-1-nitrobenzene (71825-51-9) → 2-(4-((6-bromo-3-nitroquinolin-4-yl)amino)phenyl)-2-methylpropanenitrile (915019-51-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / Raney-Ni / tetrahydrofuran; methanol / 10 h / 20 °C / 2068.65 Torr

2: acetic acid / 2 h

With hydrogen; Raney-Ni; In tetrahydrofuran; methanol; acetic acid;

Reference yield:

6-bromo-3-nitroquinolin-4-ol (853908-50-6) → 2-(4-((6-bromo-3-nitroquinolin-4-yl)amino)phenyl)-2-methylpropanenitrile (915019-51-1)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 0.75 h / 120 °C

2: acetic acid / 2 h

With trichlorophosphate; In acetic acid;

Reference yield:

5-Bromo-2-aminobenzoic acid (5794-88-7) → 2-(4-((6-bromo-3-nitroquinolin-4-yl)amino)phenyl)-2-methylpropanenitrile (915019-51-1)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrogenchloride / water / 24 h / 20 °C

2: 24 h / 20 °C

3: acetic anhydride; sodium acetate / 2 h / 120 °C

4: trichlorophosphate / 0.75 h / Reflux

5: acetic acid / 2 h / Reflux

With hydrogenchloride; sodium acetate; acetic anhydride; acetic acid; trichlorophosphate; In water;

upstream raw materials:

4-(2-cyanoprop-2-yl)-1-nitrobenzene

6-bromo-3-nitroquinolin-4-ol

(E)-5-bromo-2-((2-nitrovinyl)amino)benzoic acid

5-Bromo-2-aminobenzoic acid

Downstream raw materials:

2-methyl-2-(4-(6-(pyridin-3-yl)-3-nitroquinolin-4-ylamino)phenyl)-2-methylpropanenitrile

2-(4-(8-bromo-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

2-(4-(8-bromo-2-oxo-3-(4-(trifluoromethoxy)phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

2-(4-(8-bromo-2-oxo-3-(m-tolylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

Refernces

• 1、 Zhao, Bingbing,Lei, Fei,Wang, Caolin,Zhang, Binliang,Yang, Zunhua,Li, Wei,Zhu, Wufu,Xu, Shan. "Design, synthesis and biological evaluation of novel phenylsulfonylurea derivatives as PI3K/mTOR dual inhibitors". . . Retrieved 2018/07/13.
• 2、 -. "Sulfonylurea compound as well as preparation method and application thereof". . . Retrieved 2018/09/14.