Pyrrolidine, 1-(1-phenylethyl)-

Base Information

• Chemical Name: Pyrrolidine, 1-(1-phenylethyl)-
• CAS No.: 17782-39-7
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• DSSTox Substance ID: DTXSID80388898
• Nikkaji Number: J1.951.309B
• Mol file: 17782-39-7.mol

Synonyms:1-(1-phenylethyl)pyrrolidine;17782-39-7;Pyrrolidine, 1-(1-phenylethyl)-;SCHEMBL7097730;DTXSID80388898;1-(alpha-Methylbenzyl)pyrrolidine;AKOS037645440;AS-60780;D95887

Chemical Property of Pyrrolidine, 1-(1-phenylethyl)-

Chemical Property:

• PSA: 3.24000
• LogP: 2.78130
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCCC2

Technology Process of Pyrrolidine, 1-(1-phenylethyl)-

There total 28 articles about Pyrrolidine, 1-(1-phenylethyl)- 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%

pyrrolidine (123-75-1) + acetophenone (98-86-2) → (±)-1-(1-phenylethyl)pyrrolidine (17782-39-7)

Guidance literature:

With formic acid; chloro[5-methoxy-2-[1-[(4-methoxyphenyl)imino-N]ethyl]phenyl-C][(1,2,3,4,5-η)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]iridium; triethylamine; In methanol; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201002944

Reference yield: 86.0%

1-(1-phenyl-ethyl)-pyrrolidine 1-oxide → (±)-1-(1-phenylethyl)pyrrolidine (17782-39-7)

Guidance literature:

With polymethylhydrosiloxane; titanium(IV) isopropylate; In tetrahydrofuran; at 20 ℃;

DOI:10.1055/s-2002-19751

Reference yield: 83.0%

pyrrolidine (123-75-1) + 1-Phenylethanol (98-85-1,13323-81-4) → (±)-1-(1-phenylethyl)pyrrolidine (17782-39-7)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; In tert-Amyl alcohol; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1002/ejoc.200800671

upstream raw materials:

pyrrolidine

(1-bromoethyl)benzne

acetophenone

1-(1-phenylvinyl)pyrrolidine

Refernces

• 1、 Hu, Yue,Norton, Jack R.. "Kinetics and thermodynamics of H-/H?/H+ transfer from a rhodium(III) hydride". . p. 5938 - 5948. Retrieved 2014.
• 2、 Jia, Le,Li, Chao-Jun,Zeng, Huiying. "Cleavage∕cross-coupling strategy for converting β-O-4 linkage lignin model compounds into high valued benzyl amines via dual C–O bond cleavage". supporting information. . Retrieved 2021/10/29.