2,2'-Dipicolylamine

Base Information

• Chemical Name: 2,2'-Dipicolylamine
• CAS No.: 1539-42-0
• Deprecated CAS: 1386284-39-4
• Molecular Formula: C12H13N3
• Molecular Weight: 199.255
• Hs Code.: 29333990
• European Community (EC) Number: 216-266-8
• NSC Number: 176070
• UNII: P978WAD4KK
• DSSTox Substance ID: DTXSID8061767
• Nikkaji Number: J69.942J
• Wikipedia: Dipicolylamine
• Wikidata: Q19903962
• ChEMBL ID: CHEMBL1650627
• Mol file: 1539-42-0.mol

Synonyms:2,2'-dipicolylamine;dipicolylamine

Chemical Property of 2,2'-Dipicolylamine

Chemical Property:

• Vapor Pressure: 0.000284mmHg at 25°C
• Refractive Index: n20/D 1.578(lit.)
• Boiling Point: 322.159 °C at 760 mmHg
• PKA: 5.89±0.20(Predicted)
• Flash Point: 148.637 °C
• PSA: 37.81000
• Density: 1.118 g/cm³
• LogP: 2.15730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: water: soluble (partially miscible)(lit.)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 199.110947427
• Heavy Atom Count: 15
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2,2''-Dipicolylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: C1=CC=NC(=C1)CNCC2=CC=CC=N2
• Uses: 2,2''-Dipicolylamine is a metal chelators and a potential MBL inhibitors.

Technology Process of 2,2'-Dipicolylamine

There total 38 articles about 2,2'-Dipicolylamine 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: 99.7%

2-Cyanopyridine (100-70-9,1232006-36-8) → bis[(2-pyridyl)methyl]amine (1539-42-0)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; for 72h; Molecular sieve;

Reference yield: 99.6%

pyridine-2-carbaldehyde (1121-60-4) + 2-(Aminomethyl)pyridine (3731-51-9) → bis[(2-pyridyl)methyl]amine (1539-42-0)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1016/j.ica.2021.120515

Reference yield: 94.0%

N,N-di(2-picolyl)-4-methylbenzenesulfonamide (117053-67-5) → bis[(2-pyridyl)methyl]amine (1539-42-0)

Guidance literature:

With sulfuric acid; at 100 ℃; for 2h;

upstream raw materials:

2-Cyanopyridine

N,N-di(2-picolyl)-4-methylbenzenesulfonamide

pyridine-2-carbaldehyde

2-(Aminomethyl)pyridine

Downstream raw materials:

methyl 6-bromomethylnicotinate

methyl 2-[bis-(2-pyridylmethyl)aminomethyl]pyridine-5-carboxylate

2,6-bis[bis(2-pyridylmethyl)aminomethyl]-4-methylphenol

2-<methyl>-4-methylphenol