1-(4-Methoxybenzyl)pyrrolidine

Base Information

• Chemical Name: 1-(4-Methoxybenzyl)pyrrolidine
• CAS No.: 122439-15-0
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.273
• DSSTox Substance ID: DTXSID301281793
• Nikkaji Number: J1.476.483F
• Mol file: 122439-15-0.mol

Synonyms:1-(4-methoxybenzyl)pyrrolidine;1-[(4-methoxyphenyl)methyl]pyrrolidine;122439-15-0;SCHEMBL3171551;ITSWOQFBVVYVPT-UHFFFAOYSA-N;DTXSID301281793;STK079052;AB00980514-01

Chemical Property of 1-(4-Methoxybenzyl)pyrrolidine

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN2CCCC2

Technology Process of 1-(4-Methoxybenzyl)pyrrolidine

There total 22 articles about 1-(4-Methoxybenzyl)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: 100.0%

pyrrolidine (123-75-1) + p-Methoxybenzyl bromide (2746-25-0) → N-(4-methoxybenzyl)pyrrolidine (122439-15-0)

Guidance literature:

In ethyl acetate; at 0 - 20 ℃; for 0.333333h;

DOI:10.1055/s-0035-1561642

Reference yield: 98.0%

1-(4-methoxybenzoyl)pyrrolidine (69838-98-8) → N-(4-methoxybenzyl)pyrrolidine (122439-15-0)

Guidance literature:

With bis(2-chlorophenyl)borinic acid; phenylsilane; In toluene; at 65 ℃; for 12h; Temperature; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201604802

Reference yield: 97.0%

N-(4-methoxyselenobenzoyl)pyrrolidine → N-(4-methoxybenzyl)pyrrolidine (122439-15-0)

Guidance literature:

With samarium diiodide; water; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.6b03325

upstream raw materials:

bis(N-pyrrolidinyl)methane

(p-methoxyphenyl)tri-n-butylstannane

(4-methoxyphenyl)trimethylstannane

ethoxy-N-pyrrolidinylmethane

Downstream raw materials:

1-(4-methoxybenzyl)-1H-pyrrole

4-methoxy-benzaldehyde