Phenyl(pyridin-2-yl)methanaminium

Base Information

• Chemical Name: Phenyl(pyridin-2-yl)methanaminium
• CAS No.: 39930-11-5
• Molecular Formula: C12H13N2+
• Molecular Weight: 184.241
• DSSTox Substance ID: DTXSID80960451
• Wikidata: Q82941652
• Mol file: 39930-11-5.mol

Synonyms:DTXSID80960451;Phenyl(pyridin-2-yl)methanaminium;AKOS015900191

Chemical Property of Phenyl(pyridin-2-yl)methanaminium

Chemical Property:

• Vapor Pressure: 0.000536mmHg at 25°C
• Boiling Point: 312.2°Cat760mmHg
• Flash Point: 163.3°C
• PSA: 38.91000
• Density: 1.106g/cm³
• LogP: 2.83000
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 185.107873423
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

Phenyl(pyridin-2-yl)methanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=N2)[NH3+]
• Isomeric SMILES: C1=CC=C(C=C1)[C@@H](C2=CC=CC=N2)[NH3+]

Technology Process of Phenyl(pyridin-2-yl)methanaminium

There total 14 articles about Phenyl(pyridin-2-yl)methanaminium 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: 96.8%

phenyl-2-pyridyl ketoxime (1826-28-4) → 1-phenyl-1-(pyridin-2-yl)methanamine (39930-11-5)

Guidance literature:

With acetic acid; zinc; In ethanol; for 26h; Cooling with ice;

DOI:10.1016/j.ica.2012.04.017

Reference yield: 90.0%

phenyl(pyridin-2-yl)methanone (91-02-1) → 1-phenyl-1-(pyridin-2-yl)methanamine (39930-11-5)

Guidance literature:

With hydroxylamine hydrochloride; acetic acid; zinc;

DOI:10.1039/c1dt11020a

Reference yield: 88.0%

→ 1-phenyl-1-(pyridin-2-yl)methanamine (39930-11-5)

Guidance literature:

With trifluoroacetic acid; zinc; at 0 - 20 ℃; for 4h; Inert atmosphere;

upstream raw materials:

N-[phenyl(pyridin-2-yl)methyl]formamide

phenyl(pyridin-2-yl)methanimine

benzonitrile

pyridine-2-carbonyl chloride

Downstream raw materials:

ethoxycarbonyl-(phenyl-2-pyridinylmethyl)amine

methyl N-cyano-N'-(phenyl-2-pyridinylmethyl)carbamimidothioate

2-Phenylsulfonylamino-5-chloro-N-(phenylpyridin-2-ylmethyl)benzamide

[RuCl₂((C₆H₃OCH₃P(C₆H₅)2)2)(C₅H₄NCH(C₆H₅)NH₂)]

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