(2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone

Base Information

• Chemical Name: (2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone
• CAS No.: 155471-08-2
• Molecular Formula: C23H21NO
• Molecular Weight: 327.42
• European Community (EC) Number: 633-881-0
• UNII: W4FL204T10
• ChEMBL ID: CHEMBL306764
• DSSTox Substance ID: DTXSID60165902
• Nikkaji Number: J771.996E
• Pharos Ligand ID: 4KKGQL7BDU4W
• Wikidata: Q6109176
• Wikipedia: JWH-015
• Mol file: 155471-08-2.mol

Synonyms:1-propyl-2-methyl-3-(1-naphthoyl)indole;JHW 015;JHW-015;JWH 015;JWH-015;methanone, (2-methyl-1-propyl-1H-indol-3-yl)-1-naphthalenyl-

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Chemical Property of (2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone

Chemical Property:

• Vapor Pressure: 2.37E-10mmHg at 25°C
• Boiling Point: 505.7°C at 760 mmHg
• Flash Point: 259.7°C
• PSA: 22.00000
• Density: 1.1g/cm³
• LogP: 5.74390
• Storage Temp.: −20°C
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 327.162314293
• Heavy Atom Count: 25
• Complexity: 475

Purity/Quality:

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C

Technology Process of (2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone

There total 4 articles about (2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone 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: 76.0%

C24H28N2O3 + 1-naphthylmagnesiumbromide (703-55-9) → (2-methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone (155471-08-2)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03447

Reference yield:

2-methyl-N-phenyl-1H-indole-3-carboxamide → (2-methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone (155471-08-2)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 25 °C / Inert atmosphere

2: triethylamine; dmap / dichloromethane / 12 h / 25 °C / Inert atmosphere

3: tetrahydrofuran / 0.33 h / 25 °C / Inert atmosphere

With dmap; potassium carbonate; triethylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/acs.orglett.5b03447

Reference yield:

2-methyl-N-phenyl-1-propyl-1H-indole-3-carboxamide → (2-methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone (155471-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; dmap / dichloromethane / 12 h / 25 °C / Inert atmosphere

2: tetrahydrofuran / 0.33 h / 25 °C / Inert atmosphere

With dmap; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/acs.orglett.5b03447

upstream raw materials:

1-naphthylmagnesiumbromide

Nitrosobenzene

Refernces