2-(2-Methoxy-3-methyl-2-butenyl)-2-phenylpyrrolidine

Base Information

• Chemical Name: 2-(2-Methoxy-3-methyl-2-butenyl)-2-phenylpyrrolidine
• CAS No.: 89998-41-4
• Molecular Formula: C₁₆H₂₃NO
• Molecular Weight: 245.365
• Hs Code.: 2933990090
• Mol file: 89998-41-4.mol

Synonyms:89998-41-4;2-(2-methoxy-3-methyl-2-butenyl)-2-phenylpyrrolidine;DLTDBDMESWOYSQ-UHFFFAOYSA-N

Chemical Property of 2-(2-Methoxy-3-methyl-2-butenyl)-2-phenylpyrrolidine

Chemical Property:

• PSA: 21.26000
• LogP: 3.92450
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 245.177964357
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(CC1(CCCN1)C2=CC=CC=C2)OC)C

Technology Process of 2-(2-Methoxy-3-methyl-2-butenyl)-2-phenylpyrrolidine

There total 3 articles about 2-(2-Methoxy-3-methyl-2-butenyl)-2-phenylpyrrolidine 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: 42.0%

Dimethylallene (598-25-4) + 5-phenyl-3,4-dihydro-2H-pyrrole perchlorate (69105-60-8) → 2-(2'-methyl-3'-butyn-2'-yl)-2-phenylpyrrolidine (89998-43-6) + 2-(2'-methoxy-3'-methyl-2'-butenyl)-2-phenylpyrrolidine (89998-41-4) + 2-(3'-methoxy-2'-methyl-3'-buten-2'-yl)-2-phenylpyrrolidine (89998-42-5)

Guidance literature:

In methanol; Irradiation;

DOI:10.1021/ja00322a067

Reference yield: 14.0%

Dimethylallene (598-25-4) + 5-phenyl-3,4-dihydro-2H-pyrrole perchlorate (69105-60-8) → 2-(3'-methyl-1',2'-butadien-1'-yl)-2-phenylpyrrolidine (110026-60-3) + 2-(2'-methyl-3'-butyn-2'-yl)-2-phenylpyrrolidine (89998-43-6) + 2-(2'-methoxy-3'-methyl-2'-butenyl)-2-phenylpyrrolidine (89998-41-4) + 2-(3'-methoxy-2'-methyl-3'-buten-2'-yl)-2-phenylpyrrolidine (89998-42-5)

Guidance literature:

With perchloric acid; In methanol; for 1.2h; Further byproducts given; Irradiation;

DOI:10.1021/jo00228a017

Reference yield: 2.0%

methanol (67-56-1) + Dimethylallene (598-25-4) + 5-phenyl-3,4-dihydro-2H-pyrrole perchlorate (69105-60-8) → 2-(3'-methyl-1',2'-butadien-1'-yl)-2-phenylpyrrolidine (110026-60-3) + 2-(2'-methyl-3'-butyn-2'-yl)-2-phenylpyrrolidine (89998-43-6) + 2-(2'-methoxy-3'-methyl-2'-butenyl)-2-phenylpyrrolidine (89998-41-4) + 2-(3'-methoxy-2'-methyl-3'-buten-2'-yl)-2-phenylpyrrolidine (89998-42-5)

Guidance literature:

With perchloric acid; In methanol; for 1.2h; Further byproducts given; Irradiation;

DOI:10.1021/jo00228a017

upstream raw materials:

methanol

Dimethylallene

5-phenyl-3,4-dihydro-2H-pyrrole perchlorate

Downstream raw materials:

methyl 2-(1-(ethoxycarbonyl)-2-phenylpyrrolidin-2-yl)ethanoate

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