2-Azidobenzothiazole

Base Information

• Chemical Name: 2-Azidobenzothiazole
• CAS No.: 6635-39-8
• Molecular Formula: C7H5N4S+
• Molecular Weight: 176.202
• Nikkaji Number: J150.132A
• NSC Number: 53379,52213
• Mol file: 6635-39-8.mol

Synonyms:2-azidobenzothiazole;2-azido-1,3-benzothiazole;6635-39-8;NSC52213;NSC53379;NSC-52213;NSC-53379;AKOS019150176;EN300-279835

Chemical Property of 2-Azidobenzothiazole

Chemical Property:

• PSA: 90.88000
• LogP: 2.69086
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 176.01566732
• Heavy Atom Count: 12
• Complexity: 214

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)N=[N+]=[N-]
• General Description: Benzothiazole-2-yl azide (or 2-azidobenzothiazole) is a reactive compound that participates in cycloaddition reactions with [60]fullerene, forming imino[60]fullerenes, which can adopt either azafulleroid ([5-6]-π bonding) or aziridinefullerene ([6-6]-α bonding) structures, as confirmed by FAB-MS and 13C NMR spectroscopy.

Technology Process of 2-Azidobenzothiazole

There total 6 articles about 2-Azidobenzothiazole 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: 54.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) → 2-azido-1,3-benzothiazole (6635-39-8)

Guidance literature:

With sodium azide; tert.-butylnitrite; In tert-butyl alcohol; at 20 ℃; for 6h;

DOI:10.1055/s-2005-869974

Reference yield: 50.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) → 2-azido-1,3-benzothiazole (6635-39-8)

Guidance literature:

With sodium azide; In water; dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.bmcl.2012.07.022

Reference yield:

4-toluenesulfonyl azide (941-55-9) + benzothiazol-2-yl-lithium (39582-59-7) → 2-azido-1,3-benzothiazole (6635-39-8) + [1,2,3,4]tetrazole[5,1-b][1,3]benzothiazole (248-02-2)

Guidance literature:

4-toluenesulfonyl azide; benzothiazol-2-yl-lithium; In diethyl ether; at -78 ℃; for 4h;

With sodium pyrophosphate; In pentane; at 0 - 4 ℃;

DOI:10.1039/b500634a

upstream raw materials:

2-amino-benzthiazole

4-toluenesulfonyl azide

benzothiazol-2-yl-lithium

2-iodobenzothiazole

Downstream raw materials:

2-(4-(cyclohex-1-en-1-yl)-1H-1,2,3-triazol-1-yl)benzo[d]thiazole

2-[3-(triphenyl-λ⁵-phosphanylidene)-triaz-1-enyl]-benzothiazole

Refernces

Reaction of 2-azidobenzothiazole and 1-azido-4-(3',5'-dimethyl-1'-pyrazolyl)tetrafluorobenzene with [60]fullerene and characterization of the adducts by fast-atom bombardment mass spectrometry

10.1016/0040-4020(96)00287-6

The research aimed to investigate the reaction of 2-azidobenzothiazole and 1-azido-4-(3',5'-dimethyl-1'-pyrazolyl)tetrafluorobenzene with [60]fullerene, leading to the formation of imino[60]fullerenes. The study sought to determine whether the formation of azafulleroid ([5-6]-π bonding type) or aziridinefullerene ([6-6]-α bonding type) could be explained by the duality of azide decomposition mechanisms. Through the use of fast-atom bombardment mass spectrometry (FAB-MS) and 13C NMR spectroscopy, the researchers established the structures of three new imino[60]fullerenes: two monoadducts (5 and 7) and one bisadduct (8). The chemicals used in the process included [60]fullerene, 2-azidobenzothiazole, 1-azido-4-(3',5'-dimethylpyrazol-1'-yl)tetrafluorobenzene, toluene, chlorobenzene, and various solvents and reagents for synthesis and characterization, such as sodium nitrite, hydrochloric acid, and m-nitrobenzyl alcohol (NBA) used as a matrix in the mass spectrometry analysis. The conclusions drawn from the study were that the reaction pathways could indeed lead to the formation of both types of imino[60]fullerenes, and the structural assignments of the adducts were confirmed through the spectroscopic techniques employed.

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