6-Methoxy-2-(4-nitrophenyl) benzothiazole

Base Information

• Chemical Name: 6-Methoxy-2-(4-nitrophenyl) benzothiazole
• CAS No.: 43036-14-2
• Molecular Formula: C14H10 N2 O3 S
• Molecular Weight: 286.311
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30443209
• Nikkaji Number: J2.388.940D
• Mol file: 43036-14-2.mol

Synonyms:43036-14-2;6-Methoxy-2-(4-nitrophenyl) benzothiazole;6-METHOXY-2-(4-NITROPHENYL)-1,3-BENZOTHIAZOLE;6-METHOXY-2-(4-NITROPHENYL)BENZO[D]THIAZOLE;2-(4-NITROPHENYL)-6-METHOXYBENZOTHIAZOLE;6-methoxy-2-(4-nitrophenyl)benzothiazole;SCHEMBL1982639;DTXSID30443209;ZSRQOGLPEUHLQQ-UHFFFAOYSA-N;MFCD06410799;AKOS015961201;AB24890;AC-13469;2-(4'-nitrophenyl)-6-methoxy benzothiazole;CS-0317835;11X-0248;2,5-Bis(chloromethyl)-1-(4-methylbenzyl)pyrrolidine hydrochloride

Chemical Property of 6-Methoxy-2-(4-nitrophenyl) benzothiazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.68
• Boiling Point: 472.2°Cat760mmHg
• Flash Point: 239.4°C
• PSA: 96.18000
• Density: 1.38g/cm³
• LogP: 4.40330
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 286.04121336
• Heavy Atom Count: 20
• Complexity: 355

Purity/Quality:

98%min ^*data from raw suppliers

6-Methoxy-2-(4-nitrophenyl)-1,3-benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 6-Methoxy-2-(4-nitrophenyl) benzothiazole

There total 20 articles about 6-Methoxy-2-(4-nitrophenyl) 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: 94.0%

N-(4-methoxyphenyl)-4-nitrothiobenzamide (73702-95-1) → 6-methoxy-2-(4-nitrophenyl)benzothiazole (43036-14-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃;

DOI:10.1021/jo0609374

Reference yield: 91.0%

4-nitrobenzaldehdye (555-16-8) + 2-amino-5-methoxy-thiophenol (6274-29-9) → 6-methoxy-2-(4-nitrophenyl)benzothiazole (43036-14-2)

Guidance literature:

In dimethyl sulfoxide; at 125 ℃;

DOI:10.1039/d0sc02641g

Reference yield: 86.0%

bis(2-amino-5-methoxyphenyl)disulfide (7732-36-7) + 4-nitrobenzaldehdye (555-16-8) → 6-methoxy-2-(4-nitrophenyl)benzothiazole (43036-14-2)

Guidance literature:

With copper(I) 2-hydroxy-3-methylbenzoate; oxygen; In acetic acid; at 80 ℃; for 6h;

DOI:10.1002/ejoc.201000174

upstream raw materials:

N-(4-methoxyphenyl)-4-nitrothiobenzamide

p-nitrobenzene iodide

2-bromo-6-methoxy-1,3 benzothiazole

N-(4-methoxyphenyl)-4-nitrobenzamide

Downstream raw materials:

4-(6-methoxybenzo[d]thiazol-2-yl)-N-methylaniline

2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol

2-(4’-chloroacetamide-phenyl)-6-methoxybenzothiazole

C₂₉H₃₄N₄O₃S₂