2-Methyl-1-phenyl-pyrrolidine

Base Information

• Chemical Name: 2-Methyl-1-phenyl-pyrrolidine
• CAS No.: 86971-17-7
• Molecular Formula: C₁₁H₁₅N
• Molecular Weight: 161.247
• DSSTox Substance ID: DTXSID70460798
• Nikkaji Number: J1.873.840F
• Mol file: 86971-17-7.mol

Synonyms:2-methyl-1-phenyl-pyrrolidine;2-methyl-1-phenylpyrrolidine;86971-17-7;33342-99-3;SCHEMBL3535701;DTXSID70460798;AKOS006289116

Chemical Property of 2-Methyl-1-phenyl-pyrrolidine

Chemical Property:

• PSA: 3.24000
• LogP: 2.74030
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99%min ^*data from raw suppliers

2-METHYL-1-PHENYL-PYRROLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN1C2=CC=CC=C2

Technology Process of 2-Methyl-1-phenyl-pyrrolidine

There total 45 articles about 2-Methyl-1-phenyl-pyrrolidine 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%

levulinic acid (123-76-2) + aniline (62-53-3) → (+/-)-2-methyl-1-phenylpyrrolidine (33342-99-3,160751-58-6,160751-59-7,86971-17-7)

Guidance literature:

With indium (III) iodide; phenylsilane; In toluene; at 120 ℃; for 24h; Sealed tube;

DOI:10.1002/anie.201509465

Reference yield: 90.0%

4-oxopentanoic acid ethyl ester (539-88-8) + aniline (62-53-3) → (+/-)-2-methyl-1-phenylpyrrolidine (33342-99-3,160751-58-6,160751-59-7,86971-17-7)

Guidance literature:

With phenylsilane; C₉H₈FeN₂O₈S₂; In neat (no solvent); at 100 ℃; for 20h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Glovebox; Irradiation;

DOI:10.1002/adsc.201801656

Reference yield: 85.0%

1,4-dibromopentane (626-87-9) + aniline (62-53-3) → (+/-)-2-methyl-1-phenylpyrrolidine (33342-99-3,160751-58-6,160751-59-7,86971-17-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

2-methyltetrahydrofuran

(2S)-phenyl-3-piperidone

5-Hydroxy-2-pentanone

N-ethyl-N-(3-chloro-propyl)-aniline

Refernces

• 1、 Garcia, Juventino J.,Roa, Diego A.. "Mild reduction with silanes and reductive amination of levulinic acid using a simple manganese catalyst". . . Retrieved 2020/12/17.
• 2、 Kang, Soosung,Kim, Hee-Kwon,La, Minh Thanh,Tran, Van Hieu. "Practical direct synthesis of: N -aryl-substituted azacycles from N -alkyl protected arylamines using TiCl4and DBU". . p. 5008 - 5016. Retrieved 2020/07/30.