5-(4-Methoxyphenyl)-3,4-dihydro-2H-pyrrole

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)-3,4-dihydro-2H-pyrrole
• CAS No.: 22217-80-7
• Molecular Formula: C11H13 N O
• Molecular Weight: 175.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30453383
• Nikkaji Number: J1.561.642C
• Wikidata: Q82274509
• Mol file: 22217-80-7.mol

Synonyms:22217-80-7;5-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-PYRROLE;5-(4-Methoxy-phenyl)-3,4-dihydro-2H-pyrrole;MFCD09749694;2-(4-Methoxyphenyl)-1-pyrroline;SCHEMBL15664958;DTXSID30453383;AR2258;AKOS005208006;AS-45308;BB 0218400;CS-0127321;A904653;methyl 2-(piperidin-1-yl)benzo[d]oxazole-5-carboxylate;5-(4-Methoxy-Phenyl)-3,4-Dihydro-2H-Pyrrole

Chemical Property of 5-(4-Methoxyphenyl)-3,4-dihydro-2H-pyrrole

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 264.6°Cat760mmHg
• Flash Point: 94.7°C
• PSA: 21.59000
• Density: 1.07g/cm³
• LogP: 1.71370
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Methoxyphenyl)-3,4-dihydro-2H-pyrrole 97% ^*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=NCCC2

Technology Process of 5-(4-Methoxyphenyl)-3,4-dihydro-2H-pyrrole

There total 21 articles about 5-(4-Methoxyphenyl)-3,4-dihydro-2H-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: 94.0%

4-chloro-1-(4-methoxyphenyl)butan-1-one (40877-19-8) → 2-(4-methoxyphenyl)-1-pyrroline (22217-80-7)

Guidance literature:

With sodium azide; triethyl phosphite; In dimethyl sulfoxide; for 0.333333h; microwave irradiation;

DOI:10.1016/j.tetlet.2005.04.054

Reference yield: 90.0%

(Z/E)-4-bromo-1-(4-methoxyphenyl)butan-1-one O-methyl oxime → 2-(4-methoxyphenyl)-1-pyrroline (22217-80-7)

Guidance literature:

With samarium; iodine; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.9b02740

Reference yield: 87.0%

4-azido-1-(4-methoxyphenyl)butan-1-one (189079-75-2) → 2-(4-methoxyphenyl)-1-pyrroline (22217-80-7)

Guidance literature:

With triethyl phosphite; In dimethyl sulfoxide; for 0.166667h; microwave irradiation;

DOI:10.1016/j.tetlet.2005.04.054

upstream raw materials:

4-(4-methoxy-phenyl)-4-oxo-butyronitrile

1-ethenyl-2-pyrrolidinone

p-methoxyphenyllithium

4-azido-1-(4-methoxyphenyl)butan-1-one

Downstream raw materials:

5-(4-Methoxyphenyl)-2,3-diphenyl-1-azabicyclo<3.3.0>oct-2-en-4-on

1-methyl-2-(4-methoxyphenyl)-1-pyrrolinium trifluoromethanesulfonate

5-(4-Methoxy-phenyl)-1-methyl-3,4-dihydro-2H-pyrrolium; iodide

4-Bromo-5-(4-methoxy-phenyl)-3,4-dihydro-2H-pyrrole