2-Nonyl-1,3-benzothiazole

Base Information

• Chemical Name: 2-Nonyl-1,3-benzothiazole
• CAS No.: 6340-30-3
• Molecular Formula: C₁₆H₂₃NS
• Molecular Weight: 261.431
• NSC Number: 51386
• DSSTox Substance ID: DTXSID10979571
• Wikidata: Q82965251
• Mol file: 6340-30-3.mol

Synonyms:6340-30-3;2-nonyl-1,3-benzothiazole;NSC51386;SCHEMBL11596488;DTXSID10979571;NSC-51386

Chemical Property of 2-Nonyl-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 3.64E-05mmHg at 25°C
• Boiling Point: 364°Cat760mmHg
• Flash Point: 162.8°C
• Density: 1.026g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 261.15512091
• Heavy Atom Count: 18
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=NC2=CC=CC=C2S1

Technology Process of 2-Nonyl-1,3-benzothiazole

There total 6 articles about 2-Nonyl-1,3-benzothiazole 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: 89.0%

caprinaldehyde (112-31-2) + 2-amino-benzenethiol (137-07-5) → 2-nonylbenzo[d]thiazole (6340-30-3)

Guidance literature:

With cetyltrimethylammonim bromide; In water; for 8.5h; Reflux;

DOI:10.1590/S0103-50532010000100007

Reference yield: 83.0%

N-methyl-N-phenyldecanethioamide + 2-amino-benzenethiol (137-07-5) → 2-nonylbenzo[d]thiazole (6340-30-3)

Guidance literature:

With carbon tetrabromide; In neat (no solvent); at 70 ℃; for 29h; Green chemistry;

DOI:10.1039/c9ob02125f

Reference yield: 56.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + 2-iodophenylamine (615-43-0) → 2-nonylbenzo[d]thiazole (6340-30-3)

Guidance literature:

With dipotassium hydrogenphosphate; 1,10-Phenanthroline; copper(II) choride dihydrate; sulfur; In N,N-dimethyl-formamide; at 130 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.1c01357

upstream raw materials:

caprinaldehyde

2-amino-benzenethiol

N-methyl-N-phenyldecanamide

n-decanoyl chloride