5-methoxy-1-methyl-1H-indole

Base Information

• Chemical Name: 5-methoxy-1-methyl-1H-indole
• CAS No.: 2521-13-3
• Molecular Formula: C10H11 N O
• Molecular Weight: 161.203
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30356123
• Nikkaji Number: J292.131F
• Wikidata: Q82135300
• ChEMBL ID: CHEMBL4576329
• Mol file: 2521-13-3.mol

Synonyms:5-methoxy-1-methyl-1H-indole;5-methoxy-1-methylindole;2521-13-3;1H-Indole, 5-methoxy-1-methyl-;1H-Indole,5-methoxy-1-methyl-;5-methoxy-N-methylindole;1-methyl-5-methoxyindole;5-methoxyl -1-methylindole;5-Methoxy-1-methyl1H-indole;SCHEMBL5080973;CHEMBL4576329;DTXSID30356123;CAA52113;MFCD05863250;AKOS004119741;methyl 1-methyl-1H-indol-5-yl ether;AS-9416;5-Hydroxyindole, N-methyl-, methyl ether;CS-0151163;FT-0649729;D82112;A817709;AN-068/25067015

Chemical Property of 5-methoxy-1-methyl-1H-indole

Chemical Property:

• Vapor Pressure: 0.00479mmHg at 25°C
• Melting Point: 103-104 °C
• Refractive Index: 1.551
• Boiling Point: 285.6°C at 760 mmHg
• Flash Point: 126.5°C
• PSA: 14.16000
• Density: 1.06g/cm³
• LogP: 2.18690
• Storage Temp.: Room temperature.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

5-Methoxy-1-methylindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC2=C1C=CC(=C2)OC

Technology Process of 5-methoxy-1-methyl-1H-indole

There total 3 articles about 5-methoxy-1-methyl-1H-indole 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: 57.0%

5-methoxy-1-methylindoline (74492-43-6) → 5-methoxy-N-methylindole (2521-13-3) + hydrogen (1333-74-0)

Guidance literature:

With tetrakis(acetonitrile)palladium(II) bis(tetrafluoroborate); potassium hexafluoroantimonate; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; for 45h; Irradiation; Inert atmosphere;

DOI:10.1021/jacs.7b00253

Reference yield:

tetramethylviolacein (94493-20-6) → 1-methylindole (603-76-9) + 5-methoxylindole (1006-94-6) + N-methyl-2-indolinone (61-70-1) + 5-methoxy-N-methylindole (2521-13-3)

Guidance literature:

With zinc; Product distribution; pyrolyses;

Reference yield:

tetramethylviolacein (94493-20-6) → 1-methylindole (603-76-9) + 5-methoxy-N-methylindole (2521-13-3)

Guidance literature:

Product distribution; pyrolyses;

upstream raw materials:

tetramethylviolacein

5-methoxy-1-methylindoline

Downstream raw materials:

(2R,3R)-2-Benzyloxycarbonylamino-3-(5-methoxy-1-methyl-1H-indol-3-yl)-butyric acid

(R)-2-(5-methoxy-1-methyl-1H-indol-3-yl)-2-phenylethanol

(R)-5-methoxy-1-methyl-3-(1-phenyl-2-(prop-2-ynyloxy)ethyl)-1H-indole

(R)-3-(2-(but-2-ynyloxy)-1-phenylethyl)-5-methoxy-1-methyl-1H-indole