2-(4-Iodophenyl)-1,3-benzothiazole

Base Information

• Chemical Name: 2-(4-Iodophenyl)-1,3-benzothiazole
• CAS No.: 19654-21-8
• Molecular Formula: C13H8INS
• Molecular Weight: 337.184
• DSSTox Substance ID: DTXSID901307707
• Nikkaji Number: J2.511.374H
• Mol file: 19654-21-8.mol

Synonyms:2-(4-iodophenyl)-1,3-benzothiazole;2-(4-iodophenyl)benzothiazole;SCHEMBL4515790;DTXSID901307707;ARK103190;STL577107;AKOS000462566;NCGC00165324-01;19654-21-8

Chemical Property of 2-(4-Iodophenyl)-1,3-benzothiazole

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 336.94222
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)I

Technology Process of 2-(4-Iodophenyl)-1,3-benzothiazole

There total 14 articles about 2-(4-Iodophenyl)-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: 91.0%

4-iodo-N-phenylthiobenzamide (144933-07-3) → 2-(4-iodophenyl)benzo[d]thiazole (19654-21-8)

Guidance literature:

With g-C₃N₄; air; In water; at 20 ℃; for 10h; Irradiation;

Reference yield: 90.0%

2-amino-benzenethiol (137-07-5) + p-(iodophenyl)carboxaldehyde (15164-44-0) → 2-(4-iodophenyl)benzo[d]thiazole (19654-21-8)

Guidance literature:

With oxygen; pyrographite; In 5,5-dimethyl-1,3-cyclohexadiene; at 50 ℃; for 28h; Inert atmosphere;

DOI:10.1055/s-0031-1289772

Reference yield: 88.0%

4-iodobenzonitrile (3058-39-7) + 2-amino-benzenethiol (137-07-5) → 2-(4-iodophenyl)benzo[d]thiazole (19654-21-8)

Guidance literature:

With copper diacetate; triethylamine; In ethanol; at 70 ℃; for 6h;

DOI:10.1021/ol400379z

upstream raw materials:

2-amino-benzenethiol

p-(iodophenyl)carboxaldehyde

4-aminobenzaldehyde

4-iodo-N-phenylthiobenzamide

Downstream raw materials:

2-(4-iodo-phenyl)-6-nitro-benzothiazole

2-([1,1′-biphenyl]-4-yl)benzo[d]thiazole

2-(3',4'-dimethoxylbiphenyl-4-yl)benzo[d]thiazole

2-[4-(4-methylphenyl)phenyl]-1,3-benzothiazole