2-(4-Methoxyphenyl)benzothiazole

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)benzothiazole
• CAS No.: 6265-92-5
• Molecular Formula: C14H11NOS
• Molecular Weight: 241.313
• Hs Code.: 2934200090
• NSC Number: 33161
• DSSTox Substance ID: DTXSID60211711
• Nikkaji Number: J891.442G
• Wikidata: Q83086687
• ChEMBL ID: CHEMBL460508
• Mol file: 6265-92-5.mol

Synonyms:2-(4-Methoxyphenyl)benzothiazole;6265-92-5;2-(4-Methoxyphenyl)benzo[d]thiazole;2-(4-methoxyphenyl)-1,3-benzothiazole;2-(p-Methoxyphenyl)benzothiazole;BRN 0176359;CHEMBL460508;MFCD01099069;Benzothiazole, 2-(4-methoxyphenyl)-;Benzothiazole, 2-(p-methoxyphenyl)- (6CI,7CI,8CI);NSC33161;Maybridge4_002018;4-(2-Benzothiazolyl)anisole;MLS000688456;SCHEMBL2242816;DTXSID60211711;HMS1526L16;HMS2620N05;AC1422;ARK100780;BDBM50293105;Benzothiazole, 2-(p-methoxyphenyl)-;NSC 33161;NSC-33161;NSC817074;STK064085;AKOS000273514;1-(2-Benzothiazolyl)-4-methoxybenzene;NSC-817074;NCGC00167617-02;CS-12305;LS-40792;SMR000284381;SY046128;CS-0197335;FT-0636050;M1654;EN300-7368683;A833910;BRD-K29488415-001-01-6;Z50129054

Chemical Property of 2-(4-Methoxyphenyl)benzothiazole

Chemical Property:

• Vapor Pressure: 5.16E-06mmHg at 25°C
• Melting Point: 120.0 to 124.0 °C
• Refractive Index: 1.656
• Boiling Point: 392.5 °C at 760 mmHg
• Flash Point: 191.2 °C
• PSA: 50.36000
• Density: 1.234 g/cm³
• LogP: 3.97190
• Solubility.: soluble in Toluene
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.05613515
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methoxyphenyl)benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Technology Process of 2-(4-Methoxyphenyl)benzothiazole

There total 160 articles about 2-(4-Methoxyphenyl)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: 100.0%

2-(4-methoxyphenyl)-benzothiazoline (25373-36-8) → 2-(4-methoxy-phenyl)-benzothiazole (6265-92-5)

Guidance literature:

In chloroform; at 20 ℃; for 5h;

DOI:10.1016/j.molstruc.2011.12.001

Reference yield: 100.0%

1,3-Benzothiazole (95-16-9) + para-iodoanisole (696-62-8) → 2-(4-methoxy-phenyl)-benzothiazole (6265-92-5)

Guidance literature:

With [Pd(1,10-phenanthroline)₂](PF₆)₂; caesium carbonate; In dimethyl amine; at 150 ℃; for 20h; Inert atmosphere;

DOI:10.1039/b920794e

Reference yield: 99.0%

4-methoxy-benzaldehyde (123-11-5) + 2-amino-benzenethiol (137-07-5) → 2-(4-methoxy-phenyl)-benzothiazole (6265-92-5)

Guidance literature:

With choline chloride; tartaric acid;

upstream raw materials:

2-aminobenzenethiol hydrochloride

4-methoxy-benzaldehyde

2-amino-benzenethiol

4-methoxy-N-phenylthiobenzamide

Downstream raw materials:

2-(4-hydroxyphenyl)benzothiazole

2-(5'-methoxy-[1,1':3',1''-terphenyl]-2'-yl)benzo[d]thiazole

2-(2'-Hydroxy-4'-methoxyphenyl)benzothiazole

(2-(benzo[d]thiazol-2-yl)-5-methoxyphenyl)(phenyl)methanone