4-bromo-3-[[3-fluoro-4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-indolecarboxamide

Base Information

Chemical Name:4-bromo-3-[[3-fluoro-4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-indolecarboxamide
CAS No.:200418-22-0
Molecular Formula:C₂₄H₁₉BrFN₅O₄
Molecular Weight:540.348
Hs Code.:
DSSTox Substance ID:DTXSID10696918
Wikidata:Q82626684

Synonyms:200418-22-0;4-bromo-3-[[3-fluoro-4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-indolecarboxamide;DTXSID10696918;A814202;4-bromanyl-3-[3-fluoranyl-4-[[(3-nitropyridin-4-yl)amino]methyl]phenyl]carbonyl-N,N-dimethyl-indole-1-carboxamide;4-Bromo-3-(3-fluoro-4-{[(3-nitropyridin-4-yl)amino]methyl}benzoyl)-N,N-dimethyl-1H-indole-1-carboxamide

Suppliers and Price of 4-bromo-3-[[3-fluoro-4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-indolecarboxamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 4-bromo-3-[[3-fluoro-4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-indolecarboxamide

Chemical Property:

Boiling Point:701.9±70.0 °C(Predicted)
Density:1.54±0.1 g/cm3(Predicted)
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:539.06044
Heavy Atom Count:35
Complexity:798

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C(=O)N1C=C(C2=C1C=CC=C2Br)C(=O)C3=CC(=C(C=C3)CNC4=C(C=NC=C4)[N+](=O)[O-])F

Technology Process of 4-bromo-3-[[3-fluoro-4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-indolecarboxamide

There total 7 articles about 4-bromo-3-[[3-fluoro-4-[[(3-nitro-4-pyridinyl)amino]methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-indolecarboxamide 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:

: 52488-36-5
4-bromo-1H-indole

: 200418-22-0
4-Bromo-3-{3-fluoro-4-[(3-nitro-pyridin-4-ylamino)-methyl]-benzoyl}-indole-1-carboxylic acid dimethylamide

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) KOH / 1.) THF, RT, 15 min, 2.) THF, RT, 4 h

2: 1.) AlCl₃ / 1.) CH₂Cl₂, RT, 10 min, 2.) CH₂Cl₂, RT, 2.5 h

3: 16.0 g / NaN₃ / dimethylformamide / 3 h / Ambient temperature

4: 13.59 g / H₂O, PPh₃ / tetrahydrofuran / 16 h / Ambient temperature

5: 12.14 g / Et₃N / acetonitrile / a) RT, 30 min, b) 60 deg C, 2 h

With potassium hydroxide; aluminium trichloride; sodium azide; water; triethylamine; triphenylphosphine; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm970389+

Reference yield:

: 350-28-7
3-fluoro-4-methyl-benzoic acid

: 200418-22-0
4-Bromo-3-{3-fluoro-4-[(3-nitro-pyridin-4-ylamino)-methyl]-benzoyl}-indole-1-carboxylic acid dimethylamide

Guidance literature:: Multi-step reaction with 6 steps

1: oxalyl chloride, DMF / tetrahydrofuran / 0.5 h / Heating

2: sulfuryl chloride, benzoyl peroxide / benzene / 2.5 h / Heating

3: 1.) AlCl₃ / 1.) CH₂Cl₂, RT, 10 min, 2.) CH₂Cl₂, RT, 2.5 h

4: 16.0 g / NaN₃ / dimethylformamide / 3 h / Ambient temperature

5: 13.59 g / H₂O, PPh₃ / tetrahydrofuran / 16 h / Ambient temperature

6: 12.14 g / Et₃N / acetonitrile / a) RT, 30 min, b) 60 deg C, 2 h

With aluminium trichloride; sodium azide; sulfuryl dichloride; Perbenzoic acid; oxalyl dichloride; water; triethylamine; N,N-dimethyl-formamide; triphenylphosphine; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile; benzene;
DOI:10.1021/jm970389+

Reference yield:

: 59189-97-8
3-fluoro-4-methylbenzoic acid chloride

: 200418-22-0
4-Bromo-3-{3-fluoro-4-[(3-nitro-pyridin-4-ylamino)-methyl]-benzoyl}-indole-1-carboxylic acid dimethylamide

Guidance literature:: Multi-step reaction with 5 steps

1: sulfuryl chloride, benzoyl peroxide / benzene / 2.5 h / Heating

2: 1.) AlCl₃ / 1.) CH₂Cl₂, RT, 10 min, 2.) CH₂Cl₂, RT, 2.5 h

3: 16.0 g / NaN₃ / dimethylformamide / 3 h / Ambient temperature

4: 13.59 g / H₂O, PPh₃ / tetrahydrofuran / 16 h / Ambient temperature

5: 12.14 g / Et₃N / acetonitrile / a) RT, 30 min, b) 60 deg C, 2 h

With aluminium trichloride; sodium azide; sulfuryl dichloride; Perbenzoic acid; water; triethylamine; triphenylphosphine; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile; benzene;
DOI:10.1021/jm970389+