1-(1-Methyl-1H-indol-4-yl)ethanone

Base Information

• Chemical Name: 1-(1-Methyl-1H-indol-4-yl)ethanone
• CAS No.: 120160-29-4
• Molecular Formula: C₁₁H₁₁NO
• Molecular Weight: 173.214
• DSSTox Substance ID: DTXSID20566592
• Wikidata: Q82452271
• Mol file: 120160-29-4.mol

Synonyms:1-(1-Methyl-1H-indol-4-yl)ethanone;120160-29-4;1-(1-METHYLINDOL-4-YL)ETHANONE;1-(1-Methyl-1H-indol-4-yl)ethan-1-one;SCHEMBL3923460;DTXSID20566592;ASUMTUNMRMQBAM-UHFFFAOYSA-N;1 -(1-Methyl-1H-indol-4-yl)ethanone;1-(1-Methyl-1H-indol-4-yl)-ethanone;1 -(1-Methyl-1H-indole-4-yl)ethanone;EN300-1845698;W-205081

Chemical Property of 1-(1-Methyl-1H-indol-4-yl)ethanone

Chemical Property:

• Boiling Point: 320.1±15.0 °C(Predicted)
• PSA: 22.00000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 2.38090
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

95+% ^*data from raw suppliers

1-(1-Methyl-1H-indol-4-yl)ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C2C=CN(C2=CC=C1)C

Technology Process of 1-(1-Methyl-1H-indol-4-yl)ethanone

There total 3 articles about 1-(1-Methyl-1H-indol-4-yl)ethanone 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: 98.0%

1-(1-methyl-1H-indol-4-yl)-ethanol (628711-59-1) → 1-(1-methyl-1H-indol-4-yl)-ethanone (120160-29-4)

Guidance literature:

With manganese oxide; In dichloromethane;

Reference yield:

4-bromo-1-methyl-1H-indole (590417-55-3) + 1-(trimethylsilyl)ethanone (13411-48-8) → 1-(1-methyl-1H-indol-4-yl)-ethanone (120160-29-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In 1,2-dichloro-ethane; at 75 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol403570z

Reference yield:

1-(1H-indol-4-yl)ethan-1-one (50614-86-3) + methyl iodide (74-88-4) → 1-(1-methyl-1H-indol-4-yl)-ethanone (120160-29-4)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 18h; Product distribution / selectivity;

upstream raw materials:

1-(1-methyl-1H-indol-4-yl)-ethanol

1-(1H-indol-4-yl)ethan-1-one

methyl iodide

4-bromo-1-methyl-1H-indole