1-(4-Methoxyphenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)-1H-pyrrole
• CAS No.: 5145-71-1
• Molecular Formula: C11H11 N O
• Molecular Weight: 173.214
• Hs Code.: 2933990090
• European Community (EC) Number: 637-098-5
• NSC Number: 116798,215974
• DSSTox Substance ID: DTXSID70297602
• Nikkaji Number: J1.010.367C
• Wikidata: Q82038785
• Mol file: 5145-71-1.mol

Synonyms:1-(4-Methoxyphenyl)-1H-pyrrole;5145-71-1;1-(4-methoxyphenyl)pyrrole;1-(4-Methoxy-phenyl)-1H-pyrrole;1H-Pyrrole, 1-(4-methoxyphenyl)-;NSC116798;MFCD00128350;SCHEMBL2092151;DTXSID70297602;1-(4-methoxy phenyl)-1h-pyrrole;GEO-01701;NSC215974;STK197430;AKOS000285846;CS-W004417;FS-1343;NSC-116798;NSC-215974;SB62129;1-(4-Methoxyphenyl)-1H-pyrrole, 97%;AM20040604;EU-0009038;FT-0605740;VU0060935-1;C75411;A871279;SR-01000470789;SR-01000470789-1;W-200403

Chemical Property of 1-(4-Methoxyphenyl)-1H-pyrrole

Chemical Property:

• Vapor Pressure: 0.00736mmHg at 25°C
• Melting Point: 110-114 °C(lit.)
• Boiling Point: 278.1°Cat760mmHg
• PKA: -5.67±0.70(Predicted)
• Flash Point: 122°C
• PSA: 14.16000
• Density: 1.02g/cm³
• LogP: 2.48590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-(4-methoxyphenyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C=CC=C2

Technology Process of 1-(4-Methoxyphenyl)-1H-pyrrole

There total 38 articles about 1-(4-Methoxyphenyl)-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: 99.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 4-methoxy-aniline (104-94-9) → 1-(p-methoxyphenyl)pyrrole (5145-71-1)

Guidance literature:

In water; at 150 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2009.06.079

Reference yield: 97.0%

pyrrole (109-97-7,30604-81-0) + para-iodoanisole (696-62-8) → 1-(p-methoxyphenyl)pyrrole (5145-71-1)

Guidance literature:

With potassium phosphate; copper(l) iodide; N-((4-nitro-1-oxy-pyridin-2-yl)methyl)oxalamic acid; In dimethyl sulfoxide; at 90 ℃; for 48h; Inert atmosphere; Sealed tube;

DOI:10.1039/c5ob00045a

Reference yield: 95.0%

pyrrole (109-97-7,30604-81-0) + 1-bromo-4-methoxy-benzene (104-92-7) → 1-(p-methoxyphenyl)pyrrole (5145-71-1)

Guidance literature:

With caesium carbonate; at 135 ℃; for 24h; Reagent/catalyst;

DOI:10.1007/s10562-015-1523-6

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

4-methoxy-aniline

TCNE-1-(p-Methoxyphenyl)-pyrrol-Komplex

Chloranil-1-(p-Methoxyphenyl)-pyrrol-Komplex

Downstream raw materials:

TCNE-1-(p-Methoxyphenyl)-pyrrol-Komplex

Chloranil-1-(p-Methoxyphenyl)-pyrrol-Komplex

dimethyl (E)-1-(4-methoxyphenyl)-2-pyrrolyl-2-butenedioate

dimethyl (Z)-1-(4-methoxyphenyl)-2-pyrrolyl-2-butenedioate

Refernces

• 1、 Zhang, Can,Li, Jianbin,Wang, Xin,Shen, Xuan,Zhu, Dunru,Shen, Ruwei. "Metal-Free Synthetic Shortcut to Octahydro-Dipyrroloquinoline Skeletons from 2,5-Cyclohexadienone Derivatives and l -Proline". . p. 10397 - 10406. Retrieved 2021.
• 2、 Echeverry-Gonzalez, Carlos A.,Ortiz Villamizar, Marlyn Catalina,Kouznetsov, Vladimir V.. "The remarkable selectivity of the 2-arylquinoline-based acyl hydrazones toward copper salts: Exploration of their catalytic applications in the copper catalysed: N -arylation of indole derivatives and C1-alkynylation of tetrahydroisoquinolines via the A supporting information. p. 243 - 250. Retrieved 2021/01/11.