3-Phenoxypyrrolidine

Base Information

• Chemical Name: 3-Phenoxypyrrolidine
• CAS No.: 21767-14-6
• Molecular Formula: C10H13NO
• Molecular Weight: 163.21632
• European Community (EC) Number: 806-383-8,823-166-3
• DSSTox Substance ID: DTXSID801315278
• Mol file: 21767-14-6.mol

Synonyms:3-Phenoxypyrrolidine;21767-14-6;3-phenoxy-pyrrolidine;931581-76-9;(S)-3-Phenoxypyrrolidine;SCHEMBL226349;Pyrrolidine,3-phenoxy-,(3S)-;3-phenoxypyrrolidine, AldrichCPR;SKHPQIQATRHESG-UHFFFAOYSA-N;DTXSID801315278;MFCD08688473;AKOS005263783;SB11615;BS-13707;EN300-77733;A854038;Z975916118

Chemical Property of 3-Phenoxypyrrolidine

Chemical Property:

• Boiling Point: 259.2±33.0 °C(Predicted)
• PKA: 9.15±0.10(Predicted)
• PSA: 21.26000
• Density: 1.058±0.06 g/cm3(Predicted)
• LogP: 1.75610
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99.0% MIN ^*data from raw suppliers

3-phenoxypyrrolidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC1OC2=CC=CC=C2

Technology Process of 3-Phenoxypyrrolidine

There total 2 articles about 3-Phenoxypyrrolidine 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: 24.0%

→ 3-phenoxypyrrolidine (21767-14-6)

Guidance literature:

Reference yield:

3-Phenoxy-pyrrolidine; compound with trifluoro-acetic acid (83220-81-9) → 3-phenoxypyrrolidine (21767-14-6)

Guidance literature:

With sodium carbonate; In diethyl ether;

DOI:10.1021/ja00385a080

Reference yield: 58.0%

3-phenoxypyrrolidine (21767-14-6) + (E)-1-(3-chloro-4-propylidene)-5-methoxy-1,2,3,4-tetrahydronaphthalene (161923-60-0) → (E)-1-[3-(3,4-dihydro-5-methoxy-1(2H)-naphthalenylidene)propyl]-3-phenoxypyrrolidine

Guidance literature:

With potassium carbonate; In acetonitrile; Heating;

upstream raw materials:

3-Phenoxy-pyrrolidine; compound with trifluoro-acetic acid

Downstream raw materials:

1-Chloro-3-phenoxy-pyrrolidine

4-Phenoxy-3,4-dihydro-2H-pyrrole

α,β-trans-benzamido-β-phenoxyproline tert-butyl amide

α,β-cis-benzamido-β-phenoxyproline tert-butyl amide

Refernces

• 1、 Nutt, Ruth F.,Joullie, Madeleine M.. "The Four-Component Condensation: A New Versatile Method for the Synthesis of Substituted Prolyl Peptides". . p. 5852 - 5853. Retrieved 2007/10/02.