3-Methoxy-1H-indole

Base Information

• Chemical Name: 3-Methoxy-1H-indole
• CAS No.: 16712-55-3
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL5181011
• DSSTox Substance ID: DTXSID30548026
• Nikkaji Number: J3.068.962C
• Wikidata: Q82426604
• Mol file: 16712-55-3.mol

Synonyms:3-Methoxy-1H-indole;16712-55-3;1H-Indole, 3-methoxy-;3-methoxyindole;SCHEMBL1899742;SCHEMBL6421814;CHEMBL5181011;DTXSID30548026;AKOS006352892;BS-49442;CS-0163683;E76079

Chemical Property of 3-Methoxy-1H-indole

Chemical Property:

• Melting Point: 69 °C
• Boiling Point: 138-140 °C(Press: 3-4 Torr)
• PKA: 16.49±0.30(Predicted)
• PSA: 25.02000
• Density: 1.169±0.06 g/cm3(Predicted)
• LogP: 2.17650
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99.90% ^*data from raw suppliers

3-Methoxy-1H-indole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CNC2=CC=CC=C21

Technology Process of 3-Methoxy-1H-indole

There total 14 articles about 3-Methoxy-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: 2.0%

1-methoxyindole (54698-11-2) → 1H-indole-2-carbonitrile (36193-65-4) + 3-methoxyindole (16712-55-3)

Guidance literature:

With potassium cyanide; In water; N,N-dimethyl-formamide; for 15h; Heating;

Reference yield: 0.3%

1-methoxyindole (54698-11-2) + potassium cyanide (151-50-8) → 1H-indole-2-carbonitrile (36193-65-4) + 3-methoxyindole (16712-55-3)

Guidance literature:

In water; N,N-dimethyl-formamide; for 15h; Heating;

Reference yield:

N-benzenesulfonyl-3-methoxyindole (112890-10-5) → 3-methoxyindole (16712-55-3)

Guidance literature:

With sodium hydroxide; In methanol; for 4h;

DOI:10.1016/S0040-4039(00)96288-9

upstream raw materials:

3-methoxy-indole-2-carboxylic acid

indoxyl

dimethyl sulfate

1-methoxyindole

Downstream raw materials:

indolin-3-one

1H,1H'-2,2'-Biindolylidene-3,3'-dione