3-(2-nitrobutyl)-1H-indole

Base Information

• Chemical Name: 3-(2-nitrobutyl)-1H-indole
• CAS No.: 835-41-6
• Molecular Formula: C12H14N2O2
• Molecular Weight: 218.2518
• NSC Number: 88060
• DSSTox Substance ID: DTXSID00293253
• Nikkaji Number: J2.484.634B
• Mol file: 835-41-6.mol

Synonyms:3-(2-nitrobutyl)-1H-indole;835-41-6;NSC88060;3-(2'-nitrobutyl)indole;NCIOpen2_005393;DTXSID00293253;NSC-88060;STK558389;AKOS005484127

Chemical Property of 3-(2-nitrobutyl)-1H-indole

Chemical Property:

• Vapor Pressure: 5.2E-07mmHg at 25°C
• Boiling Point: 412.4°Cat760mmHg
• Flash Point: 203.2°C
• Density: 1.206g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.105527694
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC1=CNC2=CC=CC=C21)[N+](=O)[O-]

Technology Process of 3-(2-nitrobutyl)-1H-indole

There total 2 articles about 3-(2-nitrobutyl)-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:

1-Nitropropane (108-03-2) → 3-(2-nitro-butyl)-indole (835-41-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01204a061

Reference yield:

→ 3-(2-nitro-butyl)-indole (835-41-6)

Guidance literature:

Gramin, Nitropropan;

DOI:10.1007/BF00760275

Reference yield: 94.0%

3-(2-nitro-butyl)-indole (835-41-6) → etryptamine (2235-90-7)

Guidance literature:

With samarium diiodide; water; isopropylamine; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2007.05.105

upstream raw materials:

1-Nitropropane

Downstream raw materials:

etryptamine