(1H-Indol-3-yl)-m-tolyl-methanone

Base Information

• Chemical Name: (1H-Indol-3-yl)-m-tolyl-methanone
• CAS No.: 727-95-7
• Molecular Formula: C₁₆H₁₃NO
• Molecular Weight: 235.285
• DSSTox Substance ID: DTXSID70655622
• Wikidata: Q82569823
• Mol file: 727-95-7.mol

Synonyms:(1H-Indol-3-yl)-m-tolyl-methanone;727-95-7;1H-indol-3-yl-(3-methylphenyl)methanone;SCHEMBL22462631;DTXSID70655622;(1h-indol-3-yl)-m-tolylmethanone;(1H-Indol-3-yl)(3-methylphenyl)methanone

Chemical Property of (1H-Indol-3-yl)-m-tolyl-methanone

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 235.099714038
• Heavy Atom Count: 18
• Complexity: 314

Purity/Quality:

(1H-Indol-3-yl)-m-tolyl-methanone 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C2=CNC3=CC=CC=C32

Technology Process of (1H-Indol-3-yl)-m-tolyl-methanone

There total 5 articles about (1H-Indol-3-yl)-m-tolyl-methanone 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: 84.0%

indole (120-72-9) + C9H7O3(1-)*K(1+) → (1H-indol-3-yl)(m-tolyl)methanone (727-95-7)

Guidance literature:

With oxygen; copper(II) acetate monohydrate; sodium chloride; In acetonitrile; under 760.051 Torr; Autoclave;

DOI:10.1039/c9ob00622b

Reference yield: 83.0%

indole (120-72-9) + 3-Methylbenzonitrile (620-22-4) → (1H-indol-3-yl)(m-tolyl)methanone (727-95-7)

Guidance literature:

With [2,2]bipyridinyl; (1S)-10-camphorsulfonic acid; water; palladium diacetate; at 120 ℃; for 36h;

DOI:10.1021/ol303440y

Reference yield: 78.0%

indole (120-72-9) + 3-Methylbenzoyl chloride (1711-06-4) → (1H-indol-3-yl)(m-tolyl)methanone (727-95-7)

Guidance literature:

indole; With diethylaluminium chloride; In hexane; dichloromethane; at 0 ℃; for 0.5h;

3-Methylbenzoyl chloride; In hexane; dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.3987/COM-18-13888

upstream raw materials:

indole

3-Methylbenzonitrile

3-methylphenyloxoacetic acid

3-Methylbenzoyl chloride

Refernces

• 1、 -. "INDOLE COMPOUNDS AND THEIR USE". Paragraph 00191; 00218; 00283. . Retrieved 2019/06/05.
• 2、 Araki, Koji,Makino, Kosho,Tabata, Hidetsugu,Nakayama, Hiroshi,Zaitsu, Kei,Oshitari, Tetsuta,Natsugari, Hideaki,Takahashi, Hideyo. "Synthesis of 3-aroylindoles as intermediates of cannabimimetics and elucidation of their physicochemical properties". . p. 910 - 920. Retrieved 2018/06/07.