2-(4-Nitrophenyl)Benzo[D]Thiazole

Base Information

• Chemical Name: 2-(4-Nitrophenyl)Benzo[D]Thiazole
• CAS No.: 22868-34-4
• Molecular Formula: C13H8 N2 O2 S
• Molecular Weight: 256.285
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90356629
• Nikkaji Number: J891.445A
• Wikidata: Q82136096
• Pharos Ligand ID: APQLSTUG9P2A
• ChEMBL ID: CHEMBL477841
• Mol file: 22868-34-4.mol

Synonyms:2-(4-Nitrophenyl)Benzo[D]Thiazole;22868-34-4;2-(4-nitrophenyl)benzothiazole;2-(4-nitrophenyl)-1,3-benzothiazole;CHEMBL477841;2-(4-Nitro-phenyl)-benzothiazole;(4-nitrophenyl)-benzothiazole;SCHEMBL1992041;DTXSID90356629;2-(4'-nitrophenyl)-benzothiazole;AC5670;ARK102891;BDBM50479682;MFCD00267710;NSC817070;STK038333;AKOS000642906;MB01103;NSC-817070;NCGC00165336-01;SY046132;BENZOTHIAZOLE, 2-(4-NITROPHENYL)-;VU0549471-1;10.14272/KEJBDGQLLLLBGE-UHFFFAOYSA-N.1;doi:10.14272/KEJBDGQLLLLBGE-UHFFFAOYSA-N.1;F9995-1823

Chemical Property of 2-(4-Nitrophenyl)Benzo[D]Thiazole

Chemical Property:

• PSA: 86.95000
• LogP: 4.39470
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 256.03064868
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Nitrophenyl)Benzo[D]Thiazole ^*data from reagent suppliers

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)[N+](=O)[O-]
• Uses: 2-(4-Nitrophenyl)benzo[d]thiazole is a useful intermediate in the synthesis of 2-substituted benzoxazoles and other benzothiazoles derivatives with anti-fungal activity.

Technology Process of 2-(4-Nitrophenyl)Benzo[D]Thiazole

There total 53 articles about 2-(4-Nitrophenyl)Benzo[D]Thiazole 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: 99.0%

4-nitrobenzaldehdye (555-16-8) + 2-amino-benzenethiol (137-07-5) → 2-(4-nitrophenyl)benzothiazole (22868-34-4)

Guidance literature:

With cerium(IV) oxide; In water; at 20 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2013.09.092

Reference yield: 96.0%

2-amino-benzenethiol (137-07-5) + 4-nitrobenzonitrile (619-72-7) → 2-(4-nitrophenyl)benzothiazole (22868-34-4)

Guidance literature:

With zinc(II) oxide; In neat (no solvent); at 70 ℃; chemoselective reaction; Green chemistry;

DOI:10.1080/00397911.2021.1894577

Reference yield: 95.0%

4-nitro-N-phenylthiobenzamide (6244-77-5) → 2-(4-nitrophenyl)benzothiazole (22868-34-4)

Guidance literature:

With pyridine; iron(III) chloride; sodium persulfate; In dimethyl sulfoxide; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c1cc16184a

upstream raw materials:

4-nitro-N-phenylthiobenzamide

zinc 2-aminobenzenethiolate

4-nitro-benzoyl chloride

2-amino-benzenethiol

Downstream raw materials:

2-(4-aminophenyl)benzothiazole

2-(4'-nitrophenyl)-6-nitrobenzothiazole

N-[4-(1,3-benzothiazol-2-yl)phenyl]acetamide

2-(4-amino-3-cyanophenyl)benzothiazole