Phenyl(pyridin-4-yl)methanamine

Base Information

• Chemical Name: Phenyl(pyridin-4-yl)methanamine
• CAS No.: 58088-57-6
• Molecular Formula: C12H12N2
• Molecular Weight: 184.24
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80389527
• Nikkaji Number: J901.657K
• ChEMBL ID: CHEMBL1625075
• Mol file: 58088-57-6.mol

Synonyms:phenyl(pyridin-4-yl)methanamine;58088-57-6;C-Phenyl-C-pyridin-4-yl-methylamine;alpha-(4-Pyridyl)benzylamine;SCHEMBL3998608;Phenyl-Pyridin-4-Ylmethyl-Amin;CHEMBL1625075;DTXSID80389527;DNIOUOCUBMTIDC-UHFFFAOYSA-N;[phenyl(pyridin-4-yl)methyl]amine;MFCD06589768;AKOS000122997;AB25340;rac-C-phenyl-C-pyridin-4-yl-methylamine;BS-13959;BB 0254191;CS-0139390;FT-0677622;1-PHENYL-1-(PYRIDIN-4-YL)METHANAMINE;EN300-35534;C77682;AB00821055-04;A831730;J-523957

Chemical Property of Phenyl(pyridin-4-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.00012mmHg at 25°C
• Melting Point: 104℃
• Boiling Point: 335.4 °C at 760 mmHg
• Flash Point: 177.3 °C
• PSA: 38.91000
• Density: 1.106 g/cm³
• LogP: 4.43400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.100048391
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenyl(pyridin-4-yl)methanamine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=NC=C2)N

Technology Process of Phenyl(pyridin-4-yl)methanamine

There total 7 articles about Phenyl(pyridin-4-yl)methanamine 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:

phenylmagnesium bromide (100-58-3) → C-phenyl-C-pyridin-4-yl-methylamine (58088-57-6)

Guidance literature:

With sodium borohydrid; ammonium chloride; In methanol;

Reference yield:

N-(phenyl-pyridin-4-yl-methyl)-formamide (423761-51-7) → C-phenyl-C-pyridin-4-yl-methylamine (58088-57-6)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; Heating;

DOI:10.1023/A:1012735616975

Reference yield:

4-(chlorocarbonyl)pyridine (14254-57-0) → C-phenyl-C-pyridin-4-yl-methylamine (58088-57-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 66 percent / 90 - 160 °C

2: aq. HCl / propan-2-ol / Heating

With hydrogenchloride; In isopropyl alcohol; 1: Friedel-Crafts reaction conditions / 2: modified Leuckart reaction conditions;

DOI:10.1023/A:1012735616975

upstream raw materials:

pyridine-4-carbaldehyde

phenylmagnesium bromide

N-(phenyl-pyridin-4-yl-methyl)-formamide

4-(chlorocarbonyl)pyridine

Downstream raw materials:

rac-4-fluoro-N-{[(phenylpyridin-4-ylmethyl)carbamoyl]methyl}benzamide

C₂₉H₂₂N₄O

C₁₇H₁₇N₅

C₁₆H₁₇N₅

Refernces

• 1、 -. "Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds". . . Retrieved 2008/06/13.
• 2、 Shamshin,Aleshina,Sukhanova,Kabanova. "Synthesis and neurotropic activity of (heterylphenylmethyl)-amines and -ureas". . p. 349 - 352. Retrieved 2007/10/03.