1-Methyl-2-(phenylmethyl)-1H-indole

Base Information

• Chemical Name: 1-Methyl-2-(phenylmethyl)-1H-indole
• CAS No.: 157427-47-9
• Molecular Formula: C16H15N
• Molecular Weight: 221.302
• DSSTox Substance ID: DTXSID301295346
• Nikkaji Number: J618.130I
• Mol file: 157427-47-9.mol

Synonyms:DTXSID301295346;1-Methyl-2-(phenylmethyl)-1H-indole;157427-47-9

Chemical Property of 1-Methyl-2-(phenylmethyl)-1H-indole

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 221.120449483
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C=C1CC3=CC=CC=C3

Technology Process of 1-Methyl-2-(phenylmethyl)-1H-indole

There total 8 articles about 1-Methyl-2-(phenylmethyl)-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: 70.0%

benzyl bromide (100-39-0) + 1-methyl-2-(tri-n-butylstannyl)-1H-indole (157427-46-8) → N-Methyl-2-benzylindole (157427-47-9)

Guidance literature:

bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; for 1h; Heating;

DOI:10.1021/jo00094a042

Reference yield:

N-benzyl-2-ethynyl-N-methylaniline (1011737-23-7) → 1-methyl-3-(phenylmethyl)-1H-indole (24486-66-6) + N-Methyl-2-benzylindole (157427-47-9)

Guidance literature:

[1,3-bis(2,6-di(i-Pr)C₆H₃)-4-imidazolin-2-ylidene]AuN(Tf)2; In 1,2-dichloro-ethane; at 80 ℃;

DOI:10.1002/anie.200702931

Reference yield:

1-(N-methyl-anilino)-3-phenyl-acetone (79409-01-1) + N-methylaniline (100-61-8) → N-Methyl-2-benzylindole (157427-47-9)

Guidance literature:

With N-methylaniline hydrochloride; at 200 ℃;

DOI:10.1021/ja01332a054

upstream raw materials:

1-(N-methyl-anilino)-3-phenyl-acetone

N-methylaniline hydrochloride

N-methylaniline

benzyl bromide

Downstream raw materials:

2-chloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one

(1-methyl-1H-indol-2-yl)(phenyl)methanone

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