3-(4-Methoxyphenyl)pyrrolidine

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)pyrrolidine
• CAS No.: 91246-26-3
• Molecular Formula: C11H15 N O
• Molecular Weight: 177.2429
• Hs Code.: 2933990090
• European Community (EC) Number: 821-485-2
• DSSTox Substance ID: DTXSID20397626
• Mol file: 91246-26-3.mol

Synonyms:3-(4-methoxyphenyl)pyrrolidine;91246-26-3;3-(4-METHOXY-PHENYL)-PYRROLIDINE;SCHEMBL3552712;DTXSID20397626;UPSZBLIRYUFEOF-UHFFFAOYSA-N;MFCD09027609;AKOS005264499;SB39848;BS-13864;CS-0150400;FT-0648768;EN300-62198;A843773;J-510731;F2189-0076;Z940902820

Chemical Property of 3-(4-Methoxyphenyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.00229mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 288.8°C at 760 mmHg
• PKA: 10.13±0.10(Predicted)
• Flash Point: 114°C
• PSA: 21.26000
• Density: 1.024g/cm³
• LogP: 2.10090
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

3-(4-methoxyphenyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CCNC2

Technology Process of 3-(4-Methoxyphenyl)pyrrolidine

There total 2 articles about 3-(4-Methoxyphenyl)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:

5-methoxy-8-thia-9-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene 8,8-dioxide → 3-(4-methoxyphenyl)pyrrolidine (91246-26-3)

Guidance literature:

5-methoxy-8-thia-9-azatricyclo[7.2.1.0^2,7]dodeca-2⁽⁷⁾,3,5-triene 8,8-dioxide; With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium; In tetrahydrofuran; at 80 - 100 ℃; for 15h; Inert atmosphere;

With sodium fluoride; sodium hydroxide; In tetrahydrofuran; diethyl ether; water; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.joc.8b02827

Reference yield:

→ 3-(4-methoxyphenyl)pyrrolidine (91246-26-3)

Guidance literature:

Reference yield: 29.0%

3-(4-methoxyphenyl)pyrrolidine (91246-26-3) + 7-chloro-5-(pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine → 7-(3-(4-methoxyphenyl)pyrrolidin-1-yl)-5-(pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 75 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmc.2017.05.030