Gapicomine

Base Information

• Chemical Name: Gapicomine
• CAS No.: 1539-39-5
• Molecular Formula: C12H13 N3
• Molecular Weight: 199.255
• Hs Code.: 2933399090
• UNII: WWW0P95393
• DSSTox Substance ID: DTXSID10165477
• Wikipedia: Gapicomine
• Wikidata: Q5521775
• NCI Thesaurus Code: C72117
• ChEMBL ID: CHEMBL2103958
• Mol file: 1539-39-5.mol

Synonyms:4-pyridinemethanamine, N-(4-pyridinylmethyl)-;bicordin;bis(4-pyridylmethyl)amine citrate;bis(4-pyridylmethyl)amine citrate (1:1);gapicomine;N-(4-pyridinylmethyl)-4-pyridinemethanamine, 2-hydroxy-1,2,3-propanetricarboxylate

Chemical Property of Gapicomine

Chemical Property:

• Vapor Pressure: 2.41E-05mmHg at 25°C
• Refractive Index: 1.589
• Boiling Point: 359.2°Cat760mmHg
• PKA: 5.80±0.20(Predicted)
• Flash Point: 171°C
• PSA: 37.81000
• Density: 1.118g/cm³
• LogP: 2.15730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 199.110947427
• Heavy Atom Count: 15
• Complexity: 142

Purity/Quality:

98%min ^*data from raw suppliers

1-Pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamine 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CNCC2=CC=NC=C2

Technology Process of Gapicomine

There total 12 articles about Gapicomine 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: 92.0%

pyridine-4-carbonitrile (100-48-1) → N-(4-pyridinylmethyl)-4-pyridinemethanamine (1539-39-5)

Guidance literature:

With sodium tetrahydroborate; La_0.5Ca_0.5CoO₃; In methanol; at 40 ℃; for 0.333333h; under 760.051 Torr; chemoselective reaction;

DOI:10.4067/S0717-97072017000100005

Reference yield: 91.0%

4-(aminomethyl)pyridine (3731-53-1) + 4-picolylchloride hydrochloride (1822-51-1) → N-(4-pyridinylmethyl)-4-pyridinemethanamine (1539-39-5)

Guidance literature:

With potassium carbonate; In ethanol; water;

DOI:10.1021/acs.cgd.0c00084

Reference yield: 58.0%

4-(aminomethyl)pyridine (3731-53-1) + 3-Phenylpropan-1-amine (2038-57-5) → N-(3-phenylpropyl)-4-pyridinemethanamine (318464-84-5) + N-(4-pyridinylmethyl)-4-pyridinemethanamine (1539-39-5)

Guidance literature:

With 1-(3-amino-2,4-dihydroxyphenyl)-1-ethanone; In methanol; at 20 ℃; for 4h; chemoselective reaction; Inert atmosphere; Electrochemical reaction;

DOI:10.1021/ol802885b

upstream raw materials:

4-picolylchloride hydrochloride

4-(aminomethyl)pyridine

3-Phenylpropan-1-amine

pyridine-4-carbaldehyde