3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole

Base Information

• Chemical Name: 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole
• CAS No.: 41814-60-2
• Molecular Formula: C9H7N3S
• Molecular Weight: 189.237
• NSC Number: 75706
• UNII: S74H590ZEB
• DSSTox Substance ID: DTXSID90194624
• Wikidata: Q83067409
• Mol file: 41814-60-2.mol

Synonyms:41814-60-2;3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole;NSC75706;S74H590ZEB;NSC-75706;3-methylbenzo[4,5]thiazolo[2,3-c][1,2,4]triazole;3-Methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole;NSC 75706;1-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole;NCIOpen2_000859;UNII-S74H590ZEB;SCHEMBL11536976;DTXSID90194624;XMEQXRMNVMZFAB-UHFFFAOYSA-N;CCG-54055;AKOS006295670;3-Methyl-s-triazolo(3,4-b)benzothiazole;S-TRIAZOLO(3,4-B)BENZOTHIAZOLE, 3-METHYL-;SR-01000643177-1;3-METHYL-1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE;1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE, 3-METHYL-

Chemical Property of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole

Chemical Property:

• Density: 1.5g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 189.03606841
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=CC=CC=C3S2

Technology Process of 3-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole

There total 4 articles about 3-Methyl(1,2,4)triazolo(3,4-b)(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: 55.0%

2-(2-(1H-benzo[d]imidazolzol-2-yl)hydrazono)propan-1-ol → 3-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole (41814-60-2)

Guidance literature:

With dichloro(1,10-phenanthroline) copper(II); In methanol; at 20 ℃; for 24h;

DOI:10.1016/j.ica.2018.02.017

Reference yield:

1,3-benzothiazol-2-ylhydrazine (615-21-4) → 3-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole (41814-60-2)

Guidance literature:

With Triethyl orthoacetate;

DOI:10.1021/jo01092a023

Reference yield:

1-Acetyl-2-benzothiazolylhydrazine (18672-63-4) → 3-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole (41814-60-2)

Guidance literature:

With phosphoric acid; acetic anhydride;

upstream raw materials:

1-Acetyl-2-benzothiazolylhydrazine

1,3-benzothiazol-2-ylhydrazine

Downstream raw materials:

3-ethyl-5-[(2-methyl-2H-benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-2-yliden)-ethylidene]-2-thioxo-oxazolidin-4-one