2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazole

Base Information

• Chemical Name: 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazole
• CAS No.: 88841-63-8
• Molecular Formula: C₁₄H₁₃NS
• Molecular Weight: 227.33
• DSSTox Substance ID: DTXSID60537024
• Wikidata: Q82411865

Synonyms:88841-63-8;2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazole;DTXSID60537024

Chemical Property of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazole

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 227.07687059
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CC3=CC=CC=C3S2

Technology Process of 2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazole

There total 3 articles about 2-(4-Methylphenyl)-2,3-dihydro-1,2-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:

2H-benzo[b]thiete (63559-01-3) → 2-p-Tolyl-2,3-dihydro-benzo[d]isothiazole (88841-63-8)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / Heating

2: toluene / Heating

3: toluene / Heating

In toluene;

Reference yield:

o-thiobenzoquinonemethide (59130-11-9) → 2-p-Tolyl-2,3-dihydro-benzo[d]isothiazole (88841-63-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / Heating

2: toluene / Heating

In toluene;

Reference yield:

2-(p-Tolylamino-methyl)-benzenethiol → 2-p-Tolyl-2,3-dihydro-benzo[d]isothiazole (88841-63-8) + C21H17NS2 (88841-73-0) + 12-p-Tolyl-12,13-dihydro-11H-5,6-dithia-12-aza-dibenzo[a,e]cyclononene (88841-69-4)

Guidance literature:

In toluene; Yield given. Yields of byproduct given; Heating;

upstream raw materials:

2H-benzo[b]thiete

o-thiobenzoquinonemethide

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