5-(Benzyloxy)-1-methyl-1h-indole

Base Information

• Chemical Name: 5-(Benzyloxy)-1-methyl-1h-indole
• CAS No.: 2439-68-1
• Molecular Formula: C16H15 N O
• Molecular Weight: 237.301
• Hs Code.: 2933990090
• European Community (EC) Number: 654-461-3
• NSC Number: 88889
• DSSTox Substance ID: DTXSID80293357
• Nikkaji Number: J1.183.826J
• Wikidata: Q82032050
• ChEMBL ID: CHEMBL1732696
• Mol file: 2439-68-1.mol

Synonyms:5-(benzyloxy)-1-methyl-1h-indole;2439-68-1;1-methyl-5-phenylmethoxyindole;N-methyl-5-benzyloxyindole;MLS002694872;5-benzyloxy-1-methyl-1H-indole;NSC88889;5-benzyloxy-1-methylindole;SCHEMBL1400791;CHEMBL1732696;DTXSID80293357;HMS3092C07;CAA43968;1-Methyl-5-(benzyloxy)-1H-indole;MFCD00022893;NSC 88889;NSC-88889;AKOS016006435;SMR001560787;EN300-749082

Chemical Property of 5-(Benzyloxy)-1-methyl-1h-indole

Chemical Property:

• Vapor Pressure: 2.56E-06mmHg at 25°C
• Boiling Point: 402.4°C at 760 mmHg
• Flash Point: 197.1°C
• PSA: 14.16000
• Density: 1.07g/cm³
• LogP: 3.75730
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 237.115364102
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

5-(Benzyloxy)-1-methyl-1H-indole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3

Technology Process of 5-(Benzyloxy)-1-methyl-1h-indole

There total 3 articles about 5-(Benzyloxy)-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: 83.0%

5-benzyloxy-1H-indole (1215-59-4) + methyl iodide (74-88-4) → 5-benzyloxy-1-methylindole (2439-68-1)

Guidance literature:

5-benzyloxy-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃;

Reference yield: 76.0%

5-(benzyloxy)-1-methylindoline → 5-benzyloxy-1-methylindole (2439-68-1)

Guidance literature:

With N-hydroxyphthalimide; copper(II) acetate monohydrate; In acetonitrile; at 80 ℃; for 2h; Reagent/catalyst; Sealed tube;

DOI:10.1002/adsc.202000767

Reference yield:

→ 5-benzyloxy-1-methylindole (2439-68-1)

Guidance literature:

5-Benzyloxy-indol, Erh. m. p-Toluolsulfonsaeure-methylester unter Zusatz v. K2CO3 <48h>;

DOI:10.1021/jm00328a010

upstream raw materials:

5-benzyloxy-1H-indole

methyl iodide

Downstream raw materials:

4-(5-benzyloxy-1-methyl-1H-indol-3-yl)-butan-2-one

5-(benzyloxy)-1-methyl-1H-indole-3-carbaldehyde

Refernces

• 1、 Brand, Michael,Frasson, David,Gall, Flavio,Hunziker, Lukas,Kroslakova, Ivana,Lindenmann, Urs,Riedl, Rainer,Sievers, Martin. "Discovery of a Class of Potent and Selective Non-competitive Sentrin-Specific Protease 1 Inhibitors". supporting information. . Retrieved 2020/03/24.
• 2、 -. "Method for preparing indole compound through air oxidation catalyzed by N-hydroxyphthalimide". Paragraph 0041-0043. . Retrieved 2020/11/23.