2-Phenethyl-1-pyrroline

Base Information

• Chemical Name: 2-Phenethyl-1-pyrroline
• CAS No.: 106366-23-8
• Molecular Formula: C12H15N
• Molecular Weight: 173.2542
• DSSTox Substance ID: DTXSID40449575
• Nikkaji Number: J1.823.962K
• Wikidata: Q82269092
• Mol file: 106366-23-8.mol

Synonyms:2-phenethyl-1-pyrroline;2-(2-Phenethyl)-1-pyrroline;106366-23-8;5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole;Phenethyl-Azolen;DTXSID40449575;FT-0673698

Chemical Property of 2-Phenethyl-1-pyrroline

Chemical Property:

• PSA: 12.36000
• LogP: 2.28960
• Solubility.: Chloroform, Dichloromethane, Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 173.120449483
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Phenethyl)-1-pyrroline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NC1)CCC2=CC=CC=C2
• Uses: 2-(2-Phenethyl)-1-pyrroline (cas# 106366-23-8) is a compound useful in organic synthesis.

Technology Process of 2-Phenethyl-1-pyrroline

There total 4 articles about 2-Phenethyl-1-pyrroline 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: 97.8%

(R,S)-3-(3-phenylpropionyl)-2-pyrrolidinone → 2-(1-phenylethyl)-3,4-dihydro-5H-pyrrole (106366-23-8)

Guidance literature:

With hydrogenchloride; for 5h; Heating;

Reference yield: 80.0%

3-Phenyl-2-pyrrolidin-(2Z)-ylidene-propionic acid ethyl ester (113236-59-2) → 2-(1-phenylethyl)-3,4-dihydro-5H-pyrrole (106366-23-8)

Guidance literature:

With boric acid; at 180 ℃; for 0.75h;

DOI:10.1016/S0040-4039(00)96122-7

Reference yield: 68.0%

2-methyl-1H-pyrroline (872-32-2) + benzyl bromide (100-39-0) → 2-(1-phenylethyl)-3,4-dihydro-5H-pyrrole (106366-23-8)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1021/jo020126+

upstream raw materials:

3-Phenyl-2-pyrrolidin-(2Z)-ylidene-propionic acid ethyl ester

2-methyl-1H-pyrroline

benzyl bromide

benzyl chloride

Downstream raw materials:

(R,S)-2-phenethylpyrrolidine

diethyl (2-phenethylpyrrolidin-2-yl)phosphonate

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