N-(4-Methylphenyl)-gamma-oxo-1H-indole-3-butanamide

Base Information

Chemical Name:N-(4-Methylphenyl)-gamma-oxo-1H-indole-3-butanamide
CAS No.:69971-80-8
Molecular Formula:C₁₉H₁₈N₂O₂
Molecular Weight:306.364
Hs Code.:
ChEMBL ID:CHEMBL4465177
DSSTox Substance ID:DTXSID101242610

Synonyms:CHEMBL4465177;69971-80-8;N-(4-Methylphenyl)-gamma-oxo-1H-indole-3-butanamide;DTXSID101242610;BDBM50508348;4-(1H-indol-3-yl)-N-(4-methylphenyl)-4-oxobutanamide

Suppliers and Price of N-(4-Methylphenyl)-gamma-oxo-1H-indole-3-butanamide

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 0 raw suppliers

Chemical Property of N-(4-Methylphenyl)-gamma-oxo-1H-indole-3-butanamide

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:306.136827821
Heavy Atom Count:23
Complexity:429

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CNC3=CC=CC=C32

Technology Process of N-(4-Methylphenyl)-gamma-oxo-1H-indole-3-butanamide

There total 3 articles about N-(4-Methylphenyl)-gamma-oxo-1H-indole-3-butanamide 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: 27.0%

: 835-45-0
4-(1H-indol-3-yl)-4-oxobutanoic acid

: 106-49-0,12221-03-3
p-toluidine

: 69971-80-8
4-(1H-indol-3-yl)-4-oxo-N-p-tolylbutanamide

Guidance literature:: With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In chloroform; at 20 ℃; for 18h;
DOI:10.1002/cmdc.201000383

Reference yield:

: 120-72-9
indole

: 69971-80-8
4-(1H-indol-3-yl)-4-oxo-N-p-tolylbutanamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: diethylaluminium chloride / hexane; dichloromethane / 0.5 h / 0 °C / Inert atmosphere

1.2: Friedel-Crafts Acylation / 2 h / Inert atmosphere

2.1: potassium hydroxide / water / 4 h / 20 °C

3.1: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / chloroform / 18 h / 20 °C

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; diethylaluminium chloride; N-ethyl-N,N-diisopropylamine; potassium hydroxide; In hexane; dichloromethane; chloroform; water;
DOI:10.1002/cmdc.201000383

Reference yield:

: 21859-98-3
ethyl 4-(1H-indole-3-yl)-4-oxobutanoate

: 69971-80-8
4-(1H-indol-3-yl)-4-oxo-N-p-tolylbutanamide

Guidance literature:: Multi-step reaction with 2 steps

1: potassium hydroxide / water / 4 h / 20 °C

2: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / chloroform / 18 h / 20 °C

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; potassium hydroxide; In chloroform; water;
DOI:10.1002/cmdc.201000383