1H-Pyrrole, 1-methyl-2-(2-phenyl-1,3-benzoxathiol-2-yl)-

Base Information

• Chemical Name: 1H-Pyrrole, 1-methyl-2-(2-phenyl-1,3-benzoxathiol-2-yl)-
• CAS No.: 112925-40-3
• Molecular Formula: C₁₈H₁₅NOS
• Molecular Weight: 293.389
• DSSTox Substance ID: DTXSID701202195
• Mol file: 112925-40-3.mol

Synonyms:1H-Pyrrole, 1-methyl-2-(2-phenyl-1,3-benzoxathiol-2-yl)-;DTXSID701202195;112925-40-3

Chemical Property of 1H-Pyrrole, 1-methyl-2-(2-phenyl-1,3-benzoxathiol-2-yl)-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.08743528
• Heavy Atom Count: 21
• Complexity: 370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC=C1C2(OC3=CC=CC=C3S2)C4=CC=CC=C4

Technology Process of 1H-Pyrrole, 1-methyl-2-(2-phenyl-1,3-benzoxathiol-2-yl)-

There total 1 articles about 1H-Pyrrole, 1-methyl-2-(2-phenyl-1,3-benzoxathiol-2-yl)- 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: 44.0%

N-Methylpyrrole (96-54-8) + 2-phenyl-1,3-benzoxathiolium tetrafluoroborate (58948-35-9) → 1-Methyl-2-(2-phenyl-benzo[1,3]oxathiol-2-yl)-1H-pyrrole (112925-40-3) + 1-Methyl-3-(2-phenyl-benzo[1,3]oxathiol-2-yl)-1H-pyrrole (112816-89-4)

Guidance literature:

With pyridine; In acetonitrile; for 1h; Ambient temperature;

DOI:10.1021/jo00245a022

Reference yield: 92.0%

1-Methyl-2-(2-phenyl-benzo[1,3]oxathiol-2-yl)-1H-pyrrole (112925-40-3) → 2-benzoyl-1-methyl-1H-pyrrole (37496-06-3)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1021/jo00245a022

upstream raw materials:

N-Methylpyrrole

2-phenyl-1,3-benzoxathiolium tetrafluoroborate

Downstream raw materials:

2-benzoyl-1-methyl-1H-pyrrole