2-Phenyl[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium-3-olate

Base Information

• Chemical Name: 2-Phenyl[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium-3-olate
• CAS No.: 66085-20-9
• Molecular Formula: C₁₅H₉NOS₂
• Molecular Weight: 283.375
• ChEMBL ID: CHEMBL296699
• DSSTox Substance ID: DTXSID70498192
• Nikkaji Number: J846.204F
• NSC Number: 303523,151858

Synonyms:66085-20-9;2-phenyl[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium-3-olate;CHEMBL296699;DTXSID70498192;NSC151858;NSC303523;AKOS002332260;NSC-151858;NSC-303523

Chemical Property of 2-Phenyl[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium-3-olate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 283.01255626
• Heavy Atom Count: 19
• Complexity: 475

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=S=C3N(C2=O)C4=CC=CC=C4S3

Technology Process of 2-Phenyl[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium-3-olate

There total 3 articles about 2-Phenyl[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium-3-olate 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: 76.0%

2-thioxo-3H-1,3-benzothiazole (149-30-4,81605-65-4) + phenylglyoxylic acid chloride p-toluenesulfonylhydrazone (82323-46-4) → 3-hydroxy-2-phenylthiazolo<2,3-b>benzothiazolium hydroxide (66085-20-9)

Guidance literature:

With triethylamine; In diethyl ether; for 12h; Ambient temperature;

DOI:10.1039/c39840001348

Reference yield:

bromo(phenyl)acetyl chloride (19078-72-9) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8) → 3-hydroxy-2-phenylthiazolo<2,3-b>benzothiazolium hydroxide (66085-20-9)

Guidance literature:

With triethylamine; In chloroform; Ambient temperature;

DOI:10.1021/jo00407a031

Reference yield:

2-bromophenylacetic acid (4870-65-9,31302-84-8) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8) → 3-hydroxy-2-phenylthiazolo<2,3-b>benzothiazolium hydroxide (66085-20-9)

Guidance literature:

Multistep reaction;

DOI:10.1021/jm00149a023

upstream raw materials:

bromo(phenyl)acetyl chloride

2-Mercaptobenzothiazole

2-thioxo-3H-1,3-benzothiazole

phenylglyoxylic acid chloride p-toluenesulfonylhydrazone

Downstream raw materials:

2-ethyl-4-phenyl-(3ac,11bc)-3a,11b-dihydro-4H-4r,11ac-episulfano-benzo[4,5]thiazolo[3,2-a]pyrrolo[3,4-c]pyridine-1,3,5-trione

2,4-diphenyl-(3ac,11bc)-3a,11b-dihydro-4H-4r,11ac-episulfano-benzo[4,5]thiazolo[3,2-a]pyrrolo[3,4-c]pyridine-1,3,5-trione

Dimethyl 1-Oxo-2-phenylbenzothiazolo<3,2-a>pyridine-3,4-dicarboxylate

2-phenyl-3,4-bis-trifluoromethyl-benzo[4,5]thiazolo[3,2-a]pyridin-1-one

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