4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole

Base Information

• Chemical Name: 4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole
• CAS No.: 861033-75-2
• Molecular Formula: C17H15 N O
• Molecular Weight: 249.312
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90457322
• Wikidata: Q82280134
• Mol file: 861033-75-2.mol

Synonyms:4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole;861033-75-2;4-(p-Methoxyphenyl)-2-phenylpyrrole;SCHEMBL20392617;DTXSID90457322;2-(Acetyloxy)-N-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}acetamidemonohydrochloride

Chemical Property of 4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole

Chemical Property:

• PSA: 25.02000
• LogP: 4.35730
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 249.115364102
• Heavy Atom Count: 19
• Complexity: 266

Purity/Quality:

4-(PARA-METHOXYPHENYL)-2-PHENYLPYRROLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CNC(=C2)C3=CC=CC=C3

Technology Process of 4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole

There total 7 articles about 4-(4-methoxyphenyl)-2-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: 93.0%

3-(4-methoxyphenyl)-4-nitro-1-phenylbutane-1-one (77670-29-2,101878-23-3) → 4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole (861033-75-2)

Guidance literature:

With morpholine; sulfur; ammonium acetate; In neat (no solvent); at 80 ℃; for 0.5h;

DOI:10.1055/s-0035-1561852

Reference yield: 44.0%

carbon monoxide (201230-82-2) + 3-(4-methoxyphenyl)-4-nitro-1-phenylbutane-1-one (77670-29-2,101878-23-3) → 4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole (861033-75-2)

Guidance literature:

With 1-Methylpyrrolidine; selenium; In N,N-dimethyl-formamide; at 150 ℃; for 5h; under 22801.5 Torr; Autoclave;

DOI:10.1016/j.tet.2014.04.061

Reference yield:

trans-4-methoxychalcone (22252-15-9) → 4-(4-methoxyphenyl)-2-phenyl-1H-pyrrole (861033-75-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Et₂NH / methanol / 16 h / Heating

2.1: KOH / methanol; tetrahydrofuran / 1 h / 20 °C

2.2: H₂SO₄ / tetrahydrofuran / 1 h / 20 °C

3.1: 0.34 g / AcOH; NH₄OAc / 1 h / 100 °C

With potassium hydroxide; ammonium acetate; acetic acid; diethylamine; In tetrahydrofuran; methanol;

DOI:10.1021/jo050696k

upstream raw materials:

trans-4-methoxychalcone

3-(4-methoxyphenyl)-4-nitro-1-phenylbutane-1-one

carbon monoxide

4-methoxy-benzaldehyde

Downstream raw materials:

3-(4-methoxyphenyl)-2-nitroso-5-phenyl-1H-pyrrole