3-Phenylpyrrolidine

Base Information

• Chemical Name: 3-Phenylpyrrolidine
• CAS No.: 936-44-7
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• Hs Code.: 2933990090
• European Community (EC) Number: 812-163-2
• DSSTox Substance ID: DTXSID60389848
• Nikkaji Number: J2.143.157E
• ChEMBL ID: CHEMBL75207
• Mol file: 936-44-7.mol

Synonyms:3-Phenylpyrrolidine;936-44-7;3-Phenyl-pyrrolidine;Pyrrolidine, 3-phenyl-;MFCD01838169;CHEMBL75207;(Pyrrolidin-3-yl)benzene;MFCD19216485;3-phenyl-pyrolidine;3-phenyl-pyrollidine;4-phenyl-pyrrolidine;D0GI7S;SCHEMBL4122;(+/-)-3-phenyl-pyrrolidine;F2189-0088;3-phenylpyrrolidine, AldrichCPR;DTXSID60389848;HMS1704P05;BDBM50144660;STK006609;AKOS000674061;AKOS016051772;AB09982;CS-W002828;SB15498;SB45543;BS-13527;PD181509;SY023454;SY245835;AM20080739;BB 0216358;FT-0648781;EC-000.1464;EN300-59950;VU0490391-1;A844660;J-513066;J-803041;Z926900322

Chemical Property of 3-Phenylpyrrolidine

Chemical Property:

• Vapor Pressure: 0.0322mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 243.36 °C at 760 mmHg
• PKA: 10.10±0.10(Predicted)
• Flash Point: 103.142 °C
• PSA: 12.03000
• Density: 0.988 g/cm³
• LogP: 2.09230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36-52
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC1C2=CC=CC=C2

Technology Process of 3-Phenylpyrrolidine

There total 35 articles about 3-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: 98.0%

4-phenyl-2,3-dihydro-1H-pyrrole (1616295-80-7) → 3-phenylpyrrolidine (936-44-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 3h;

Reference yield: 91.0%

(rac)-N-benzyl-3-phenylpyrrolidine (1026-59-1) → 3-phenylpyrrolidine (936-44-7)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4020(01)87128-3

Reference yield: 90.0%

8-thia-9-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8,8-dioxide (830319-60-3) → 3-phenylpyrrolidine (936-44-7)

Guidance literature:

8-thia-9-azatricyclo[7.2.1.0^2,7]dodeca-2⁽⁷⁾,3,5-triene-8,8-dioxide; With ammonia; lithium; In tetrahydrofuran; at -78 ℃; for 4.5h;

With ammonium chloride; In tetrahydrofuran; at -78 - 20 ℃; for 16h;

DOI:10.1021/ol0480123

upstream raw materials:

(+-)-phenylsuccinonitrile

(rac)-N-benzyl-3-phenylpyrrolidine

3-Phenyl-pyrrolidine-1-carboxylic acid methyl ester

acetic acid

Downstream raw materials:

3'-phenyl-2,3,5,7-tetrahydro-spiro[furo[2,3-f]isoindolium-2,1'-pyrrolidinium]; iodide

3'-phenyl-5,7-dihydro-spiro[[1,3]dioxolo[4,5-f]isoindolium-6,1'-pyrrolidinium]; iodide

1-[4-(3-Phenyl-pyrrolidin-1-yl)-but-2-ynyl]-pyrrolidin-2-one

1,1-dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one