4-(1,3-Benzothiazol-2-yl)benzaldehyde

Base Information

• Chemical Name: 4-(1,3-Benzothiazol-2-yl)benzaldehyde
• CAS No.: 2182-80-1
• Molecular Formula: C14H9 N O S
• Molecular Weight: 239.298
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30589257
• Nikkaji Number: J2.644.319I
• Wikidata: Q82482504
• Mol file: 2182-80-1.mol

Synonyms:2182-80-1;4-(benzo[d]thiazol-2-yl)benzaldehyde;4-(1,3-benzothiazol-2-yl)benzaldehyde;Benzaldehyde,4-(2-benzothiazolyl)-;starbld0019365;4-benzothiazole-yl-benzaldehyde;SCHEMBL19506135;DTXSID30589257;STL102199;AKOS000297279;MCULE-4274244422;4-(BENZOTHIAZOL-2-YL)BENZALDEHYDE;CS-0336398

Chemical Property of 4-(1,3-Benzothiazol-2-yl)benzaldehyde

Chemical Property:

• Melting Point: 136 °C
• Boiling Point: 420.8±47.0 °C(Predicted)
• PKA: 0.18±0.10(Predicted)
• PSA: 58.20000
• Density: 1.306±0.06 g/cm3(Predicted)
• LogP: 3.77580
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.04048508
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

99% ^*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)C3=CC=C(C=C3)C=O

Technology Process of 4-(1,3-Benzothiazol-2-yl)benzaldehyde

There total 12 articles about 4-(1,3-Benzothiazol-2-yl)benzaldehyde 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: 96.0%

terephthalaldehyde, (623-27-8) + 2-amino-benzenethiol (137-07-5) → 4-(benzo[d]thiazol-2-yl)benzaldehyde (2182-80-1)

Guidance literature:

With ammonium cerium(IV) nitrate; dihydrogen peroxide; at 50 ℃; for 0.466667h;

DOI:10.1021/jo8010232

Reference yield: 89.0%

1,3-Benzothiazole (95-16-9) + 4-bromo-benzaldehyde (1122-91-4) → 4-(benzo[d]thiazol-2-yl)benzaldehyde (2182-80-1)

Guidance literature:

With PdCl(1,4-bis(diphenylphosphino)butane)(C₃H₅); potassium acetate; In Diethyl carbonate; at 140 ℃; for 40h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c0gc00229a

Reference yield:

2-chlorobenzo[d][1,3]thiazole (615-20-3) + 4-formylphenylboronic acid, (87199-17-5) → 4-(benzo[d]thiazol-2-yl)benzaldehyde (2182-80-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; at 70 ℃; for 24h; Inert atmosphere;

upstream raw materials:

4-benzothiazol-2-yl-benzoyl chloride

4-(1,3-benzothiazol-2-yl)benzoic acid

4-Methoxycarbonylbenzoyl chloride

2-amino-benzenethiol

Downstream raw materials:

diethyl [4-(benzothiazol-2-yl)phenethyl]phosphonate

2-[4-(1-bromo-ethyl)-phenyl]-benzothiazole

2-[4-(1-bromo-2-methyl-propyl)-phenyl]-benzothiazole

2-[4-(1-bromo-butyl)-phenyl]-benzothiazole