4,5,6-Trimethoxy-1H-indole

Base Information

• Chemical Name: 4,5,6-Trimethoxy-1H-indole
• CAS No.: 30448-04-5
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30534681
• Nikkaji Number: J307.826D
• Wikidata: Q82408624
• Mol file: 30448-04-5.mol

Synonyms:4,5,6-TRIMETHOXY-1H-INDOLE;30448-04-5;4,5,6-TRIMETHOXYINDOLE;Indole, 4,5,6-trimethoxy-;1H-Indole, 4,5,6-trimethoxy-;SCHEMBL5567677;DTXSID30534681;MFCD00049062;AKOS016383170;AS-77117;CS-0012596

Chemical Property of 4,5,6-Trimethoxy-1H-indole

Chemical Property:

• PSA: 43.48000
• LogP: 2.19370
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

4,5,6-Trimethoxy-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C(=C2C=CNC2=C1)OC)OC

Technology Process of 4,5,6-Trimethoxy-1H-indole

There total 11 articles about 4,5,6-Trimethoxy-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: 91.0%

4,5,6-Trimethoxyisatin (784-06-5) → 4,5,6-trimethoxy-1H-indole (30448-04-5) + 4,4',5,5',6,6'-hexamethoxyindigo (80981-90-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; 20 deg C --> reflux;

DOI:10.1039/P19810002906

Reference yield: 88.0%

ethylene glycol (107-21-1) + 3,4,5-Trimethoxyaniline (24313-88-0) → 4,5,6-trimethoxy-1H-indole (30448-04-5)

Guidance literature:

With Pt/Al₂O₃; zinc(II) oxide; In neat (no solvent); at 175 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.joc.7b02722

Reference yield: 62.0%

2,3,4-trimethoxy-6-nitrobenzaldehyde (52978-83-3) + (tert-Butoxycarbonylmethylene)triphenylphosphorane (86302-43-4,35000-38-5) → 4,5,6-trimethoxy-1H-indole (30448-04-5)

Guidance literature:

With triphenylphosphine; In diphenylether; at 260 ℃; for 1h;

DOI:10.1016/j.tetlet.2018.04.001

upstream raw materials:

pyridine

4,5,6-Trimethoxyisatin

2-amino-4,5,6-trimethoxy-α-chloroacetophenone

4,5,6-trimethoxy-N-(p-tolylsulphonyl)indole

Downstream raw materials:

2-methoxy-5-(4,5,6-trimethoxy-indol-1-yl)-phenol

5-methoxy-2-(4,5,6-trimethoxy-indol-1-yl)-phenylamine

C₁₈H₁₈N₂O₆

2-methoxy-5-(4,5,6-trimethoxy-indol-1-yl)-phenylamine