N-Acetyltizanidine

Base Information

• Chemical Name: N-Acetyltizanidine
• CAS No.: 173532-15-5
• Molecular Formula: C₁₁H₁₀ClN₅OS
• Molecular Weight: 295.752
• Hs Code.: 2934990002
• European Community (EC) Number: 605-682-9
• UNII: 1H24A2KGEE
• DSSTox Substance ID: DTXSID201125685
• Wikidata: Q27252408
• Mol file: 173532-15-5.mol

Synonyms:N-Acetyltizanidine;173532-15-5;N-Acetyl tizanidine;1H24A2KGEE;1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone;1-(2-((5-Chlorobenzo(C)(1,2,5)thiadiazol-4-yl)amino)-4,5-dihydro-1H-imidazol-1-yl)ethanone;1H-Imidazol-2-amine, 1-acetyl-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4,5-dihydro;Ethanone, 1-(2-((5-chloro-2,1,3-benzothiadiazol-4-yl)amino)-4,5-dihydro-1H-imidazol-1-yl)-;1-(2-((5-Chlorobenzo[c][1,2,5]thiadiazol-4-yl)amino)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one;UNII-1H24A2KGEE;1-{2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-1-yl}ethan-1-one;starbld0004616;SCHEMBL9226745;DTXSID201125685;1-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-4,5-dihydro-1H-imidazol-1-yl]Ethanone;Tizanidine Related Compound B;Q27252408

Chemical Property of N-Acetyltizanidine

Chemical Property:

• Vapor Pressure: 1.22E-07mmHg at 25°C
• Boiling Point: 431.3°C at 760 mmHg
• PKA: 0.95±0.20(Predicted)
• Flash Point: 214.6°C
• PSA: 98.72000
• Density: 1.69g/cm³
• LogP: 1.42120
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 295.0294588
• Heavy Atom Count: 19
• Complexity: 407

Purity/Quality:

99.9% ^*data from raw suppliers

N-AcetylTizanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCN=C1NC2=C(C=CC3=NSN=C32)Cl
• Uses: N-Acetyl Tizanidine, is a derivative of Tizanidine (T449500), an α2-adrenergic agonist, a centrally active myotonolytic, and a muscle relaxant (skeletal).

Technology Process of N-Acetyltizanidine

There total 1 articles about N-Acetyltizanidine 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: 93.6%

1-acetylimidazolidin-2-one (5391-39-9) + 4-amino-5-chloro-2,1,3-benzothiadiazole (30536-19-7,115398-34-0) → 5-chloro-N-(N-acetyl-4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (173532-15-5)

Guidance literature:

With trichlorophosphate; In acetone; at 50 - 55 ℃; for 20h; Temperature; Solvent;

Reference yield: 95.2%

5-chloro-N-(N-acetyl-4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (173532-15-5) → tizanidine (51322-75-9)

Guidance literature:

With water; sodium hydroxide; In methanol; at 60 - 65 ℃; for 2h;

upstream raw materials:

1-acetylimidazolidin-2-one

4-amino-5-chloro-2,1,3-benzothiadiazole

Downstream raw materials:

tizanidine