N-(1,3-benzothiazol-2-yl)-4-methylbenzamide

Base Information

• Chemical Name: N-(1,3-benzothiazol-2-yl)-4-methylbenzamide
• CAS No.: 91506-66-0
• Molecular Formula: C15H12N2OS
• Molecular Weight: 268.339
• DSSTox Substance ID: DTXSID20405336
• Nikkaji Number: J2.549.674D
• Wikidata: Q82209836
• Mol file: 91506-66-0.mol

Synonyms:N-(1,3-benzothiazol-2-yl)-4-methylbenzamide;91506-66-0;Benzamide, N-2-benzothiazolyl-4-methyl-;n-(benzo[d]thiazol-2-yl)-4-methylbenzamide;Oprea1_039506;Oprea1_320844;Oprea1_811795;SCHEMBL4910843;DTXSID20405336;WAWUISYKAPVPKW-UHFFFAOYSA-N;AKOS002952842;AKOS003628183;CCG-317680;AA-504/07614005;SR-01000390106;SR-01000390106-1;Z30199750

Chemical Property of N-(1,3-benzothiazol-2-yl)-4-methylbenzamide

Chemical Property:

• PSA: 70.23000
• LogP: 3.93000
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 268.06703418
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

N-(1,3-BENZOTHIAZOL-2-YL)-4-METHYLBENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2

Technology Process of N-(1,3-benzothiazol-2-yl)-4-methylbenzamide

There total 10 articles about N-(1,3-benzothiazol-2-yl)-4-methylbenzamide 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: 95.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + 4-methyl-benzoyl chloride (874-60-2) → N?(1,3?benzothiazol?2?yl)?4?methylbenzamide (91506-66-0)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃;

Reference yield: 92.0%

C15H13BrN2OS (651707-16-3) → N?(1,3?benzothiazol?2?yl)?4?methylbenzamide (91506-66-0)

Guidance literature:

With caesium carbonate; copper(l) iodide; In dimethyl sulfoxide; at 70 ℃; for 10h;

DOI:10.1016/j.tetlet.2007.11.100

Reference yield: 90.0%

4-methylbenzoyl isothiocyanate (16794-68-6) + 2-iodophenylamine (615-43-0) → N?(1,3?benzothiazol?2?yl)?4?methylbenzamide (91506-66-0)

Guidance literature:

With triethylamine; In water; at 90 ℃; Schlenk technique; Green chemistry;

DOI:10.1021/acs.joc.8b03107

upstream raw materials:

2-amino-benzthiazole

4-methyl-benzoyl chloride

C₁₅H₁₃BrN₂OS

C₁₅H₂₀N₂O₂S

Downstream raw materials:

2-(2-((4-methylbenzoyl)imino)benzo[d]thiazol-3(2H)-yl)-3-phenylpropionic acid

methyl 3-hydroxy-2-(2-((4-methylbenzoyl)imino)benzo[d]thiazol-3(2H)-yl)propanoate

3-hydroxy-2-(2-(4-methylbenzoylimino)benzo[d]thiazol-3(2H)-yl)propionic acid

1-(2'-benzothiazolyl)-5-p-tolyltetrazole

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