3-(1-Piperidyl)benzylamine

Base Information

• Chemical Name: 3-(1-Piperidyl)benzylamine
• CAS No.: 175696-71-6
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 2933399090
• European Community (EC) Number: 812-800-4
• DSSTox Substance ID: DTXSID90383773
• Wikidata: Q82175567
• Mol file: 175696-71-6.mol

Synonyms:175696-71-6;3-(1-Piperidyl)benzylamine;(3-PIPERIDINOPHENYL)METHYLAMINE;3-(Piperidin-1-yl)benzylamine;3-Piperidin-1-yl-benzylamine;3-Piperidinobenzylamine;(3-piperidin-1-ylphenyl)methanamine;(3-(Piperidin-1-yl)phenyl)methanamine;Benzenemethanamine, 3-(1-piperidinyl)-;MFCD06659082;[3-(piperidin-1-yl)phenyl]methanamine;1-[3-(Piperidin-1-yl)phenyl]methanamine;[3-(1-piperidyl)phenyl]methanamine;SCHEMBL113799;(3-piperidinophenyl)methyl amine;DTXSID90383773;BISSHLVDQOLHNQ-UHFFFAOYSA-N;AC1073;BBL102391;STL556193;AKOS000302838;AC-7275;SB41347;CS-11100;SY005459;(3-piperidinophenyl)methylamine, AldrichCPR;CS-0312707;FT-0694192;EN300-7403659;A881563

Chemical Property of 3-(1-Piperidyl)benzylamine

Chemical Property:

• Vapor Pressure: 6.88E-05mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 343.8 °C at 760 mmHg
• PKA: 9.39±0.10(Predicted)
• Flash Point: 142.3 °C
• PSA: 29.26000
• Density: 1.047 g/cm³
• LogP: 2.90090
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Piperidyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=CC=CC(=C2)CN

Technology Process of 3-(1-Piperidyl)benzylamine

There total 5 articles about 3-(1-Piperidyl)benzylamine 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: 88.0%

3-(piperidin-1-yl)benzonitrile (175696-74-9) → (3-(piperidin-1-yl)phenyl)methanamine (175696-71-6)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; for 16h; Ambient temperature;

DOI:10.1016/0960-894X(96)00070-4

Reference yield:

piperidine (110-89-4) → (3-(piperidin-1-yl)phenyl)methanamine (175696-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 40 h / 90 °C

2: sodium bis(2-methoxyethoxy)aluminium dihydride / tetrahydrofuran; toluene / 2 h / 22 °C / Cooling with ice

With potassium carbonate; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; dimethyl sulfoxide; toluene;

DOI:10.1039/c5ob02630j

Reference yield:

m-Fluorobenzonitrile (403-54-3) → (3-(piperidin-1-yl)phenyl)methanamine (175696-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 40 h / 90 °C

2: sodium bis(2-methoxyethoxy)aluminium dihydride / tetrahydrofuran; toluene / 2 h / 22 °C / Cooling with ice

With potassium carbonate; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; dimethyl sulfoxide; toluene;

DOI:10.1039/c5ob02630j

upstream raw materials:

3-(piperidin-1-yl)benzonitrile

1,5-dibromo-pentane

m-cyanoaniline

piperidine

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