5-Fluoro-2-(4-methoxyphenyl)benzo[D]thiazole

Base Information

• Chemical Name: 5-Fluoro-2-(4-methoxyphenyl)benzo[D]thiazole
• CAS No.: 872726-34-6
• Molecular Formula: C₁₄H₁₀FNOS
• Molecular Weight: 259.304
• ChEMBL ID: CHEMBL381069
• DSSTox Substance ID: DTXSID00467997
• Wikidata: Q82295087
• Mol file: 872726-34-6.mol

Synonyms:872726-34-6;5-FLUORO-2-(4-METHOXYPHENYL)BENZO[D]THIAZOLE;5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole;CHEMBL381069;SCHEMBL4805108;DTXSID00467997;fluoro-(4-methoxyphenyl)-benzothiazole;AM20041279;4-(5-fluoro-1,3-benzothiazol-2-yl)phenyl methyl ether

Chemical Property of 5-Fluoro-2-(4-methoxyphenyl)benzo[D]thiazole

Chemical Property:

• PSA: 50.36000
• LogP: 4.11100
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 259.04671328
• Heavy Atom Count: 18
• Complexity: 283

Purity/Quality:

97% ^*data from raw suppliers

5-FLUORO-2-(4-METHOXYPHENYL)BENZO[D]THIAZOLE 95.00% ^*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=C(S2)C=CC(=C3)F

Technology Process of 5-Fluoro-2-(4-methoxyphenyl)benzo[D]thiazole

There total 4 articles about 5-Fluoro-2-(4-methoxyphenyl)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: 78.0%

4-fluoro-1-iodo-2-nitrobenzene (364-77-2) + 4-methoxy-benzaldehyde (123-11-5) → 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole (872726-34-6)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; sodiumsulfide nonahydrate; In acetic acid; at 100 ℃; for 12h; Sealed tube;

DOI:10.1055/s-0032-1318304

Reference yield: 43.0%

4-methoxy-benzaldehyde (123-11-5) + 4,4'-difluoro-2,2'-diaminodiphenyl disulfide (224791-45-1) → 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole (872726-34-6)

Guidance literature:

With toluene-4-sulfonic acid; triphenylphosphine; In toluene; for 24h; Heating;

DOI:10.1021/jm050942k

Reference yield: 43.0%

→ 5-fluoro-2-(4-methoxyphenyl)-1,3-benzothiazole (872726-34-6)

Guidance literature:

upstream raw materials:

4-methoxy-benzaldehyde

4,4'-difluoro-2,2'-diaminodiphenyl disulfide

2-amino-5-fluorobenzothiazole

4-fluoro-1-iodo-2-nitrobenzene