N-{4-[1-(Benzenesulfonyl)-1H-indol-2-yl]-4-oxobutyl}benzamide

Base Information

Chemical Name:N-{4-[1-(Benzenesulfonyl)-1H-indol-2-yl]-4-oxobutyl}benzamide
CAS No.:112565-40-9
Molecular Formula:C₂₅H₂₂N₂O₄S
Molecular Weight:446.527
Hs Code.:
DSSTox Substance ID:DTXSID70579637
Wikidata:Q82470231

Synonyms:112565-40-9;N-(4-Oxo-4-(1-(phenylsulfonyl)-1H-indol-2-yl)butyl)benzamide;DTXSID70579637;N-{4-[1-(Benzenesulfonyl)-1H-indol-2-yl]-4-oxobutyl}benzamide

Suppliers and Price of N-{4-[1-(Benzenesulfonyl)-1H-indol-2-yl]-4-oxobutyl}benzamide

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
Packaging
price

Total 1 raw suppliers

Chemical Property of N-{4-[1-(Benzenesulfonyl)-1H-indol-2-yl]-4-oxobutyl}benzamide

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:446.13002836
Heavy Atom Count:32
Complexity:750

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NCCCC(=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

Technology Process of N-{4-[1-(Benzenesulfonyl)-1H-indol-2-yl]-4-oxobutyl}benzamide

There total 1 articles about N-{4-[1-(Benzenesulfonyl)-1H-indol-2-yl]-4-oxobutyl}benzamide 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: 72.0%

: 40899-71-6
1-benzenesulfonylindole

: 2399-66-8
1-benzoylpyrrolidin-2-one

: 112565-40-9
4-benzamido-1-(1-phenylsulphonylindol-2-yl)butan-1-one

Guidance literature:: With n-butyllithium; In tetrahydrofuran; for 1.5h; Ambient temperature;
DOI:10.1039/P19870001599

Reference yield: 63.0%

: 112565-40-9
4-benzamido-1-(1-phenylsulphonylindol-2-yl)butan-1-one

: 112565-46-5
4-benzylamino-1-indol-2-ylbutan-1-ol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 12h; Heating;
DOI:10.1039/P19870001599

Reference yield:

: 112565-40-9
4-benzamido-1-(1-phenylsulphonylindol-2-yl)butan-1-one

: 112565-53-4
1,2,3,4-tetrahydro-4-phenylsulphonylpyrrolo<1',2':1,2>-pyrrolo<3,4-b>indole

Guidance literature:: Multi-step reaction with 6 steps

1: 63 percent / lithium aluminium hydride / tetrahydrofuran / 12 h / Heating

2: 96 percent / acetic acid; 1,2-dimethoxy-ethane / 0.33 h / Ambient temperature

3: 53 percent / manganese dioxide / CHCl₃ / 48 h / Ambient temperature

4: 82 percent / 50percent aq. sodium hydroxide, tetrabutylammonium hydroxide / benzene / 1 h

5: 81 percent / potassium hydrogen carbonate / CHCl₃ / 8 h / Heating

6: 69 percent / piperidine / 1.5 h / Ambient temperature

With piperidine; manganese(IV) oxide; sodium hydroxide; lithium aluminium tetrahydride; tetra(n-butyl)ammonium hydroxide; potassium hydrogencarbonate; In tetrahydrofuran; 1,2-dimethoxyethane; chloroform; acetic acid; benzene;
DOI:10.1039/P19870001599