3H-Spiro[1,3-benzothiazole-2,1'-cyclohexane]

Base Information

• Chemical Name: 3H-Spiro[1,3-benzothiazole-2,1'-cyclohexane]
• CAS No.: 182-53-6
• Molecular Formula: C12H15NS
• Molecular Weight: 205.324
• Hs Code.: 2934200090
• Mol file: 182-53-6.mol

Synonyms:2,2-Pentamethylenbenzothiazolin;spiro;2,3-dihydrospiro;2,2-Pentamethylen-benzthiazolin;spirobenzothiazolecyclohexane;

Chemical Property of 3H-Spiro[1,3-benzothiazole-2,1'-cyclohexane]

Chemical Property:

• Boiling Point: 345.9°Cat760mmHg
• Flash Point: 163°C
• PSA: 37.33000
• Density: 1.18g/cm³
• LogP: 4.00260

Purity/Quality:

98%,99%, ^*data from raw suppliers

3H-spiro[1,3-benzothiazole-2,1''-cyclohexane] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3H-Spiro[1,3-benzothiazole-2,1'-cyclohexane]

There total 2 articles about 3H-Spiro[1,3-benzothiazole-2,1'-cyclohexane] 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: 26.0%

2-acetylcyclohexanone (874-23-7,125117-37-5) + 2-amino-benzenethiol (137-07-5) → 2-Methylbenzothiazole (120-75-2) + 7-Benzothiazol-2-yl-heptan-2-one (78840-22-9) + 2-methyl-2-(5-benzothiazol-2-ylpentyl)-2,3-dihydrobenzothiazole + 3H-spiro{benzothiazole-2,1'-cyclohexane} (182-53-6)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 10h; Heating;

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 2-amino-benzenethiol (137-07-5) → 2-cyclohexylamino-thiophenol (95667-21-3) + 3H-spiro{benzothiazole-2,1'-cyclohexane} (182-53-6)

Guidance literature:

With sodium hydroxide; borane; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, RT;

Reference yield: 99.0%

Tosyl isocyanate (4083-64-1) + 3H-spiro{benzothiazole-2,1'-cyclohexane} (182-53-6) → N-[(4-methyl-phenyl)sulfonyl]-3h-screw[1,3-benzothiazoline-2,1’-cyclohexane]-3-formamide

Guidance literature:

at 12 ℃; for 12h;

DOI:10.3390/molecules22101601

upstream raw materials:

cyclohexanone

2-amino-benzenethiol

2-acetylcyclohexanone

Downstream raw materials:

Hexahydrophenthiazin

3-Chlorcarbonyl-spiro

N-Propionyl-2,3-dihydro-1,3-benzothiazole-2-spiro-1'-cyclohexane

N-(cyclohex-1-enyl)-2-(1-propionylethylidene)-2,3-dihydro-1,3-benzothiazole

Refernces

• 1、 Morales, Hilda R.,Perez-Juarez, Martin,Cuellar, Laura,Mendoza, Lourdes,Fernandez, Hector,Contreras, Rosalinda. "BORANE-TETRAHYDROFURAN AS A USEFUL REAGENT IN THE N-MONOALKYLATION OF AMINES AND AMINOALCOHOLS BY CARBONYL COMPOUNDS.". . p. 1213 - 1220. Retrieved 2007/10/02.