4-(Aminomethyl)pyridine

Base Information

• Chemical Name: 4-(Aminomethyl)pyridine
• CAS No.: 3731-53-1
• Molecular Formula: C6H8N2
• Molecular Weight: 108.143
• Hs Code.: 29333999
• European Community (EC) Number: 223-092-6
• NSC Number: 59707
• DSSTox Substance ID: DTXSID0063153
• Nikkaji Number: J58.007D
• Wikidata: Q27463887
• ChEMBL ID: CHEMBL1188378
• Mol file: 3731-53-1.mol

Synonyms:4-pyridylmethylamine

Chemical Property of 4-(Aminomethyl)pyridine

Chemical Property:

• Vapor Pressure: 0.0674mmHg at 25°C
• Melting Point: -8 °C(lit.)
• Refractive Index: n20/D 1.552(lit.)
• Boiling Point: 230 °C at 760 mmHg
• PKA: 7.81±0.29(Predicted)
• Flash Point: 108.3 °C
• Density: 1.053 g/cm³
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: Chloroform, Ethyl Acetate
• Water Solubility.: 1000g/L at 20℃
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.068748264
• Heavy Atom Count: 8
• Complexity: 57.5

Purity/Quality:

98% ^*data from raw suppliers

4-(Aminomethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-37-36/37/38
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=CC=C1CN
• Uses: 4-(Aminomethyl)pyridine is a compound that has derivatives that act as reversible inhibitors of various copper amine oxidases (CAOs).

Technology Process of 4-(Aminomethyl)pyridine

There total 27 articles about 4-(Aminomethyl)pyridine 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: 99.9%

pyridine-4-carbonitrile (100-48-1) → 4-(aminomethyl)pyridine (3731-53-1)

Guidance literature:

With sodium tetrahydroborate; In water; dimethyl sulfoxide; at 60 ℃; for 6h; High pressure; Green chemistry;

DOI:10.1039/c9gc00908f

Reference yield: 93.0%

pyridine-4-carbaldehyde (872-85-5) → 4-(aminomethyl)pyridine (3731-53-1)

Guidance literature:

With ammonium hydroxide; hydrogen; In ethanol; at 130 ℃; for 12h; under 7500.75 Torr; Autoclave;

DOI:10.1016/j.jcat.2019.01.004

Reference yield: 86.0%

2,2-dimethyl-3-(4-pyridylmethyl)-4-oxo-4H-1,3-benzoxazine (76809-17-1) → 4-(aminomethyl)pyridine (3731-53-1) + salicylic acid (69-72-7,25496-36-0,8052-31-1)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

upstream raw materials:

pyridine-4-carbonitrile

5-Hydroxy-2-phenyl-4-(4-pyridyl)oxazole

2,2-dimethyl-3-(4-pyridylmethyl)-4-oxo-4H-1,3-benzoxazine

1-nitroso-1-phenyl-3-(4-pyridylmethyl)-urea

Downstream raw materials:

tropic acid-([4]pyridylmethyl-amide)

N-benzoyl-4-(aminomethyl)pyridine

pyridine-4-carbaldehyde

N-acetyl-sulfanilic acid-([4]pyridylmethyl-amide)

Refernces

• 1、 Formenti, Dario,Mocci, Rita,Atia, Hanan,Dastgir, Sarim,Anwar, Muhammad,Bachmann, Stephan,Scalone, Michelangelo,Junge, Kathrin,Beller, Matthias. "A State-of-the-Art Heterogeneous Catalyst for Efficient and General Nitrile Hydrogenation". supporting information. p. 15589 - 15595. Retrieved 2020/10/02.
• 2、 Wang, Kaizhi,Jiang, Pengbo,Yang, Ming,Ma, Ping,Qin, Jiaheng,Huang, Xiaokang,Ma, Lei,Li, Rong. "Metal-free nitrogen -doped carbon nanosheets: A catalyst for the direct synthesis of imines under mild conditions". . p. 2448 - 2461. Retrieved 2019/05/17.