(2-Pyrrolidin-1-ylphenyl)methylamine

Base Information

• Chemical Name: (2-Pyrrolidin-1-ylphenyl)methylamine
• CAS No.: 72752-53-5
• Molecular Formula: C11H16 N2
• Molecular Weight: 176.26
• Hs Code.: 2933990090
• European Community (EC) Number: 812-985-1
• DSSTox Substance ID: DTXSID30426113
• Nikkaji Number: J1.504.528K
• Wikidata: Q82239081
• Mol file: 72752-53-5.mol

Synonyms:72752-53-5;(2-Pyrrolidin-1-ylphenyl)methylamine;2-(1-Pyrrolidinyl)benzylamine;(2-pyrrolidin-1-ylphenyl)methanamine;2-Pyrrolidin-1-yl-benzylamine;(2-(Pyrrolidin-1-yl)phenyl)methanamine;2-(Pyrrolidin-1-yl)benzylamine;[2-(pyrrolidin-1-yl)phenyl]methanamine;MFCD04971089;2-Pyrrolidinobenzylamine;Benzenemethanamine, 2-(1-pyrrolidinyl)-;SCHEMBL111729;2-Pyrrolizinobenzenemethanamine;DTXSID30426113;CHEBI:195059;XCA75253;AC1048;BBL104335;STK350733;AKOS000261285;AB86604;AC-7277;1-(2-pyrrolidin-1-ylphenyl)methanamine;Benzenemethanamine,2-(1-pyrrolidinyl)-;CS-11101;SY005461;1-[2-(pyrrolidin-1-yl)phenyl]methanamine;CS-0250712;FT-0690313;[2-(1-PYRROLIDINYL)PHENYL]METHANAMINE;EN300-51987;(2-Pyrrolidin-1-ylphenyl)methylamine, AldrichCPR;Z335292522

Chemical Property of (2-Pyrrolidin-1-ylphenyl)methylamine

Chemical Property:

• Vapor Pressure: 0.000517mmHg at 25°C
• Boiling Point: 312.8°C at 760 mmHg
• Flash Point: 125.7°C
• PSA: 29.26000
• Density: 1.075g/cm³
• LogP: 2.51080
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Pyrrolidinyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC=CC=C2CN

Technology Process of (2-Pyrrolidin-1-ylphenyl)methylamine

There total 4 articles about (2-Pyrrolidin-1-ylphenyl)methylamine 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: 84.0%

2-fluorobenzonitrile (394-47-8) + lithium pyrrolidinoborohydride → 2-(1-pyrrolidino)benzylamine (72752-53-5)

Guidance literature:

In tetrahydrofuran; hexane; at 65 ℃; for 2h;

DOI:10.1021/jo001388j

Reference yield:

pyrrolidine-borane adduct → 2-(1-pyrrolidino)benzylamine (72752-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: n-BuLi / tetrahydrofuran; hexane / 1 h / 0 °C

2: 70 percent Chromat_. / tetrahydrofuran; hexane / 65 °C

With n-butyllithium; In tetrahydrofuran; hexane;

DOI:10.1021/jo001388j

Reference yield:

2-Chlorobenzonitrile (873-32-5) + lithium pyrrolidinoborohydride → 2-(1-pyrrolidino)benzylamine (72752-53-5)

Guidance literature:

In tetrahydrofuran; hexane; at 65 ℃;

DOI:10.1021/jo001388j

upstream raw materials:

2-Chlorobenzonitrile

2-fluorobenzonitrile

o-cyanobromobenzene

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