1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]-

Base Information

• Chemical Name: 1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]-
• CAS No.: 23694-49-7
• Molecular Formula: C12H13NO
• Molecular Weight: 187.241
• DSSTox Substance ID: DTXSID30406339
• Nikkaji Number: J719.132D
• Wikidata: Q82211260
• Mol file: 23694-49-7.mol

Synonyms:23694-49-7;1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]-;SCHEMBL11819451;N-(4-methoxybenzyl)-1h-pyrrole;DTXSID30406339;AKOS000285802;InChI=1/C12H13NO/c1-14-12-6-4-11(5-7-12)10-13-8-2-3-9-13/h2-9H,10H2,1H

Chemical Property of 1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN2C=CC=C2

Technology Process of 1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]-

There total 15 articles about 1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]- 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: 92.0%

4-methoxy-benzaldehyde (123-11-5) + 4R-4-hydroxyproline (51-35-4,30724-02-8) → 1-(4-methoxybenzyl)-1H-pyrrole (23694-49-7)

Guidance literature:

With acetic acid; In N,N-dimethyl-formamide; for 0.666667h; Reflux;

DOI:10.1007/s11426-011-4445-1

Reference yield: 90.0%

p-Methoxybenzyl bromide (2746-25-0) + 4R-4-hydroxyproline (51-35-4,30724-02-8) → 1-(4-methoxybenzyl)-1H-pyrrole (23694-49-7)

Guidance literature:

With copper(II) ferrite; caesium carbonate; In dimethyl sulfoxide; at 100 ℃; for 7h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.01.075

Reference yield: 89.0%

N-(4-methoxybenzyl)pyrrolidine (122439-15-0) → 1-(4-methoxybenzyl)-1H-pyrrole (23694-49-7)

Guidance literature:

With β‐cyclodextrin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In water; at 20 ℃; for 5h;

DOI:10.1016/j.tetlet.2011.06.077

upstream raw materials:

(4-methoxyphenyl)-(1H-pyrrol-1-yl)methanone

cis,trans-2,5-dimethoxytetrahydrofuran

4-methoxy-benzylamine

4-methoxy-benzoyl chloride

Downstream raw materials:

(1-(4-methoxybenzyl)-1H-pyrrol-2-yl)(phenyl)methanone

C₂₅H₂₆N₂O₂

1-(4-methoxybenzyl)-2,5-diphenyl-pyrrole