2-(4-Fluorophenyl)-1,3-benzothiazole

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-1,3-benzothiazole
• CAS No.: 1629-26-1
• Molecular Formula: C13H8FNS
• Molecular Weight: 229.278
• Hs Code.: 2934999090
• NSC Number: 51877
• DSSTox Substance ID: DTXSID20287634
• Nikkaji Number: J1.834.640K
• Wikidata: Q82023729
• ChEMBL ID: CHEMBL1908905
• Mol file: 1629-26-1.mol

Synonyms:2-(4-fluorophenyl)-1,3-benzothiazole;1629-26-1;2-(4-fluorophenyl)benzothiazole;Benzothiazole,2-(4-fluorophenyl)-;benzothiazole, 2-(4-fluorophenyl)-;NSC51877;SCHEMBL562905;CHEMBL1908905;DTXSID20287634;ARK100002;NSC-51877;STK018814;AKOS000806297;NCGC00165337-01;AS-61423;2-(4-FLUOROPHENYL)BENZO[D]THIAZOLE;CS-0060598;W18777;10.14272/MWIDLEVLPMTJDU-UHFFFAOYSA-N.1;doi:10.14272/MWIDLEVLPMTJDU-UHFFFAOYSA-N.1

Chemical Property of 2-(4-Fluorophenyl)-1,3-benzothiazole

Chemical Property:

• Boiling Point: 352.1 °C at 760mmHg
• Flash Point: 166.7 °C
• PSA: 41.13000
• Density: 1.304 g/cm³
• LogP: 4.10240
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.03614860
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

2-(4-FLUOROPHENYL)-BENZOTHIAZOLE 95.00% ^*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)F

Technology Process of 2-(4-Fluorophenyl)-1,3-benzothiazole

There total 81 articles about 2-(4-Fluorophenyl)-1,3-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: 99.0%

4-fluorobenzylic alcohol (459-56-3) + 2-amino-benzenethiol (137-07-5) → 2-(4-fluorophenyl)-benzothiazole (1629-26-1)

Guidance literature:

With potassium tert-butylate; In toluene; at 20 - 110 ℃; for 48h;

Reference yield: 99.0%

4-fluorobenzaldehyde (459-57-4) + 2-amino-benzenethiol (137-07-5) → 2-(4-fluorophenyl)-benzothiazole (1629-26-1)

Guidance literature:

With copper(II) ferrite; oxygen; In toluene; at 110 ℃; for 24h; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1039/c4ra00559g

Reference yield: 97.0%

N-(2-bromophenyl)-4-fluorobenzothioamide (1246887-36-4) → 2-(4-fluorophenyl)-benzothiazole (1629-26-1)

Guidance literature:

With sodium phosphate; In dimethyl sulfoxide; at 20 ℃; for 5h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.1c00235

upstream raw materials:

4-fluorobenzoyl chloride

2-amino-benzenethiol

4-fluorobenzonitrile

(Z)-3-chloro-3-(4-fluorophenyl)acrylaldehyde

Downstream raw materials:

2-(4-fluoro-2-nitrophenyl)benzo[d]thiazole