2-methyl-3-phenyl-1H-pyrrole

Base Information

• Chemical Name: 2-methyl-3-phenyl-1H-pyrrole
• CAS No.: 26288-62-0
• Molecular Formula: C₁₁H₁₁N
• Molecular Weight: 157.215
• DSSTox Substance ID: DTXSID20439535
• Nikkaji Number: J602.496C
• Wikidata: Q82255507
• Mol file: 26288-62-0.mol

Synonyms:2-methyl-3-phenyl-1H-pyrrole;1H-Pyrrole, 2-methyl-3-phenyl-;2-methyl-3-phenylpyrrole;SCHEMBL1126942;DTXSID20439535

Chemical Property of 2-methyl-3-phenyl-1H-pyrrole

Chemical Property:

• PSA: 15.79000
• LogP: 2.99010
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 157.089149355
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-3-PHENYL-1H-PYRROLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN1)C2=CC=CC=C2

Technology Process of 2-methyl-3-phenyl-1H-pyrrole

There total 7 articles about 2-methyl-3-phenyl-1H-pyrrole 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: 28.0%

(E)-1-phenylpropan-2-one oxime (10048-64-3) + acetylene (74-86-2,25067-58-7) → 2-benzyl-1H-pyrrole (33234-48-9) + 2-Methyl-3-phenylpyrrole (26288-62-0,642486-46-2) + 1-Vinyl-2-methyl-3-phenylpyrrole (81547-88-8)

Guidance literature:

In dimethyl sulfoxide; at 100 ℃; for 3h; under 10640 Torr;

DOI:10.1007/BF00512958

Reference yield: 21.0%

4-phenyl-5-methyl-1,3-dihydro-1H-pyrrol-2-one (50901-82-1) → 2-Methyl-3-phenylpyrrole (26288-62-0,642486-46-2)

Guidance literature:

With 9-borabicyclo[3.3.1]nonane dimer; In toluene; for 15h; Heating;

DOI:10.1055/s-2003-42047

Reference yield:

ethyl 3-phenyl-1H-pyrrole-2-carboxylate (21390-88-5) → 2-Methyl-3-phenylpyrrole (26288-62-0,642486-46-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; Reflux; Inert atmosphere;

DOI:10.1021/ja5028138

upstream raw materials:

1-Aza-1,3-bis(triphenylphosphoranylidene)propane

1-Phenylpropane-1,2-dione

(E)-1-phenylpropan-2-one oxime

acetylene

Downstream raw materials:

2,5-dimethyl-3-phenyl-1H-pyrrole

C₁₂H₁₁NO