(3S)-3-(2-Methoxyphenoxy)Pyrrolidine

Base Information

• Chemical Name: (3S)-3-(2-Methoxyphenoxy)Pyrrolidine
• CAS No.: 788123-19-3
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.24
• European Community (EC) Number: 676-843-9
• Mol file: 788123-19-3.mol

Synonyms:788123-19-3;(3S)-3-(2-Methoxyphenoxy)Pyrrolidine;SCHEMBL8271831;AKOS006346450;AKOS015851920

Chemical Property of (3S)-3-(2-Methoxyphenoxy)Pyrrolidine

Chemical Property:

• Vapor Pressure: 0.00143mmHg at 25°C
• Refractive Index: 1.492
• Boiling Point: 296.5°C at 760 mmHg
• Flash Point: 133.1°C
• PSA: 50.95000
• Density: 1.098g/cm³
• LogP: 1.17380
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

(3S)-3-(2-Methoxyphenoxy)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OC2CCNC2
• Isomeric SMILES: COC1=CC=CC=C1O[C@H]2CCNC2

Technology Process of (3S)-3-(2-Methoxyphenoxy)Pyrrolidine

There total 2 articles about (3S)-3-(2-Methoxyphenoxy)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:

3-(2-methoxy-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester (127342-35-2) → 3-(2-methoxy-phenoxy)-pyrrolidine (788123-19-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/jm060653b

Reference yield:

2-methoxy-phenol (90-05-1) → 3-(2-methoxy-phenoxy)-pyrrolidine (788123-19-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 16 h / 20 °C

2: trifluoroacetic acid / CH₂Cl₂ / 4 h / 20 °C

With triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; dichloromethane; 1: Mitsunobu reaction;

DOI:10.1021/jm060653b

Reference yield:

3-(2-methoxy-phenoxy)-pyrrolidine (788123-19-3) + 6,7-dimethoxy-4-chloroquinazoline (13790-39-1) → 6,7-dimethoxy-4-[3-(2-methoxy-phenoxy)-pyrrolidin-1-yl]-quinazoline

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 27h;

DOI:10.1021/jm060653b

upstream raw materials:

3-(2-methoxy-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

2-methoxy-phenol

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