2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-benzothiazole

Base Information

• Chemical Name: 2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-benzothiazole
• CAS No.: 30216-37-6
• Molecular Formula: C₁₅H₁₀ClNS
• Molecular Weight: 271.77
• NSC Number: 129721
• Mol file: 30216-37-6.mol

Synonyms:2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-benzothiazole;141838-78-0;NSC129721;AKOS001037786;3N-526S;NSC-129721;2-(2-chlorostyryl)-1,3-benzothiazole;Z46082835;30216-37-6

Chemical Property of 2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 1.48E-07mmHg at 25°C
• Boiling Point: 440.9°C at 760 mmHg
• Flash Point: 220.4°C
• Density: 1.349g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 271.0222482
• Heavy Atom Count: 18
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC2=NC3=CC=CC=C3S2)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C2=NC3=CC=CC=C3S2)Cl

Technology Process of 2-[(E)-2-(2-chlorophenyl)ethenyl]-1,3-benzothiazole

There total 5 articles about 2-[(E)-2-(2-chlorophenyl)ethenyl]-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: 75.0%

2-Methylbenzothiazole (120-75-2) + 2-styrylbenzothiazole (1483-30-3,59066-61-4,104505-71-7) → 2-(o-chlorostyryl)benzo[d]thiazole (30216-37-6)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; for 6h; Ambient temperature;

Reference yield: 13.0%

2-amino-benzenethiol (137-07-5) + 3-(2-chlorophenyl)propenoyl chloride (120681-06-3,35086-82-9) → 2-(o-chlorostyryl)benzo[d]thiazole (30216-37-6)

Guidance literature:

Multistep reaction;

DOI:10.1016/j.bmc.2005.09.051

Reference yield:

2-Methylbenzothiazole (120-75-2) + 2-chloro-benzaldehyde (89-98-5) → 2-(o-chlorostyryl)benzo[d]thiazole (30216-37-6)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 24h; Ambient temperature;

DOI:10.1055/s-1976-23949

upstream raw materials:

2-Methylbenzothiazole

2-chloro-benzaldehyde

2-styrylbenzothiazole

2-amino-benzenethiol

Downstream raw materials:

(NEt₄)(platinum(II)(2-(2'-chlorostyryl)benzothiazole)Br₃)

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