3-[[4-(aminomethyl)-3-fluorophenyl]-oxomethyl]-4-bromo-N,N-dimethyl-1-indolecarboxamide

Base Information

Chemical Name:3-[[4-(aminomethyl)-3-fluorophenyl]-oxomethyl]-4-bromo-N,N-dimethyl-1-indolecarboxamide
CAS No.:200418-21-9
Molecular Formula:C₁₉H₁₇BrFN₃O₂
Molecular Weight:418.265
Hs Code.:
DSSTox Substance ID:DTXSID50442294
Wikidata:Q82259494

Synonyms:200418-21-9;3-[[4-(aminomethyl)-3-fluorophenyl]-oxomethyl]-4-bromo-N,N-dimethyl-1-indolecarboxamide;DTXSID50442294;A814201;3-[4-(aminomethyl)-3-fluoranyl-phenyl]carbonyl-4-bromanyl-N,N-dimethyl-indole-1-carboxamide;3-[4-(Aminomethyl)-3-fluorobenzoyl]-4-bromo-N,N-dimethyl-1H-indole-1-carboxamide

Suppliers and Price of 3-[[4-(aminomethyl)-3-fluorophenyl]-oxomethyl]-4-bromo-N,N-dimethyl-1-indolecarboxamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3-[[4-(aminomethyl)-3-fluorophenyl]-oxomethyl]-4-bromo-N,N-dimethyl-1-indolecarboxamide

Chemical Property:

Boiling Point:565.2±60.0 °C(Predicted)
Density:1.49±0.1 g/cm3(Predicted)
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:417.04882
Heavy Atom Count:26
Complexity:547

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(C)C(=O)N1C=C(C2=C1C=CC=C2Br)C(=O)C3=CC(=C(C=C3)CN)F

Technology Process of 3-[[4-(aminomethyl)-3-fluorophenyl]-oxomethyl]-4-bromo-N,N-dimethyl-1-indolecarboxamide

There total 7 articles about 3-[[4-(aminomethyl)-3-fluorophenyl]-oxomethyl]-4-bromo-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:

: 200418-20-8
3-(4-Azidomethyl-3-fluoro-benzoyl)-4-bromo-indole-1-carboxylic acid dimethylamide

: 200418-21-9
3-(4-Aminomethyl-3-fluoro-benzoyl)-4-bromo-indole-1-carboxylic acid dimethylamide

Guidance literature:: With water; triphenylphosphine; In tetrahydrofuran; for 16h; Ambient temperature;
DOI:10.1021/jm970389+

Reference yield:

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

: 200418-21-9
3-(4-Aminomethyl-3-fluoro-benzoyl)-4-bromo-indole-1-carboxylic acid dimethylamide

Guidance literature:: Multi-step reaction with 4 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

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

Reference yield:

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

: 200418-21-9
3-(4-Aminomethyl-3-fluoro-benzoyl)-4-bromo-indole-1-carboxylic acid dimethylamide

Guidance literature:: Multi-step reaction with 5 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

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