1-(1-Methyl-1H-indol-3-yl)ethanone

Base Information

• Chemical Name: 1-(1-Methyl-1H-indol-3-yl)ethanone
• CAS No.: 19012-02-3
• Molecular Formula: C11H11NO
• Molecular Weight: 173.214
• Hs Code.: 2933990090
• European Community (EC) Number: 886-564-6
• DSSTox Substance ID: DTXSID80344055
• Nikkaji Number: J46.123G
• Wikidata: Q63408773
• ChEMBL ID: CHEMBL4068840
• Mol file: 19012-02-3.mol

Synonyms:19012-02-3;1-(1-Methyl-1H-indol-3-yl)ethanone;3-acetyl-1-methylindole;1-(1-methylindol-3-yl)ethanone;1-(1-Methyl-1H-indol-3-yl)-1-ethanone;1-(1-methyl-1H-indol-3-yl)ethan-1-one;Ethanone, 1-(1-methyl-1H-indol-3-yl)-;3-Acetyl-1-methyl-1H-indole;1-Methyl-3-acetylindole;MFCD00540232;1-(1-methyl-1H-indol-3-yl)-ethanone;3-ACETYL-1-TRIDEUTEROMETHYLINDOLE;SCHEMBL1887873;CHEMBL4068840;HYLFRICFKVJJOZ-UHFFFAOYSA-;DTXSID80344055;STL421255;AKOS000343625;SB18089;1-(1-Methyl-1H-indol-3-yl)ethanone #;SY033964;BB 0217944;CS-0043754;FT-0683676;EN300-65561;8H-945;W17298;A924535;AK-830/40151729;A1-00379;1-(1-methyl-1H-indol-3-yl)-1-ethanone, AldrichCPR;Q63408773;Z57070074;Propanoic acid, pentafluoro-, 4-[1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)-2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]phenyl ester

Chemical Property of 1-(1-Methyl-1H-indol-3-yl)ethanone

Chemical Property:

• Melting Point: 108-109℃
• Boiling Point: 130-140 °C(Press: 0.01 Torr)
• PSA: 22.00000
• Density: 1.09
• LogP: 2.38090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• 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:

97% ^*data from raw suppliers

3-Acetyl-1-methylindole ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CN(C2=CC=CC=C21)C

Technology Process of 1-(1-Methyl-1H-indol-3-yl)ethanone

There total 4 articles about 1-(1-Methyl-1H-indol-3-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: 52.0%

3-methyl-4,4-bis(1-methyl-1H-indol-3-yl)pentan-2-one + acetylacetone (123-54-6,81235-32-7) → 1-methylindole (603-76-9) + 1-methyl-3-deuterio-1H-indole (158953-96-9) + N-methyl-3-acetylindole (19012-02-3)

Guidance literature:

With trifluorormethanesulfonic acid; water-d2; In acetonitrile; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c4cc05047a

Reference yield:

methanol (67-56-1) + 3-acetyl-1-benzenesulfonylindole (99532-45-3) → 3-acetylindole (703-80-0) + N-methyl-3-acetylindole (19012-02-3)

Guidance literature:

With potassium carbonate; In water; for 4h; Reflux; Inert atmosphere;

DOI:10.1055/S-0029-1218627

Reference yield:

1-methylindole (603-76-9) + 1-Methyl-2-chloroindole (65610-58-4) + acetyl chloride (75-36-5) → N-methyl-3-acetylindole (19012-02-3) + 3-acetyl-2-chloro-1-methyl-1H-indole (65287-75-4) + 1,1′-dimethyl-1H,1′H-2,3′-biindole (63955-66-8)

Guidance literature:

With diethylaluminium chloride; In hexane; dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jo902515z

upstream raw materials:

N,N-dimethyl-formamide dimethyl acetal

3-acetyl-N-(p-toluenesulfonyl)indole

1-methylindole

1-Methyl-2-chloroindole

Downstream raw materials:

1-methylindole-3-acetamide

(2E)-3-(dimethylamino)-1-(1-methyl-1H-indol-3-yl)-2-propen-1-one

1-methyl-3-[3-(1-benzyl-4-piperidyl)acryloyl] indole

3-(4-methoxy-phenyl)-1-(1-methyl-indol-3-yl)-propenone