Agn-PC-00btgj

Base Information

• Chemical Name: Agn-PC-00btgj
• CAS No.: 16552-45-7
• Molecular Formula: C18H18N4
• Molecular Weight: 290.368
• DSSTox Substance ID: DTXSID90468731
• Nikkaji Number: J2.272.592K
• Wikidata: Q82296096
• Mol file: 16552-45-7.mol

Synonyms:AGN-PC-00BTGJ;16552-45-7;DTXSID90468731;N,N'-bis(pyridin-2-ylmethyl)benzen-1,2-diamine

Chemical Property of Agn-PC-00btgj

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 290.153146591
• Heavy Atom Count: 22
• Complexity: 280

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)NCC2=CC=CC=N2)NCC3=CC=CC=N3

Technology Process of Agn-PC-00btgj

There total 7 articles about Agn-PC-00btgj 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: 46.0%

2-Hydroxymethylpyridine (586-98-1) + 1,2-diamino-benzene (95-54-5) → N1,N2-bis(pyridin-2-ylmethyl)benzene-1,2-diamine (16552-45-7)

Guidance literature:

With C₁₃H₁₆MnN₂O₃S⁽¹⁺⁾*Br^(1-); potassium tert-butylate; In toluene; at 140 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.organomet.9b00131

Reference yield: 45.0%

pyridine-2-carbaldehyde (1121-60-4) + 1,2-diamino-benzene (95-54-5) → N1,N2-bis(pyridin-2-ylmethyl)benzene-1,2-diamine (16552-45-7)

Guidance literature:

pyridine-2-carbaldehyde; 1,2-diamino-benzene; In isopropyl alcohol; at 20 ℃; for 1.25h;

With methanol; sodium tetrahydroborate; for 2h; Reflux;

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) + 1,2-diamino-benzene (95-54-5) → C12H11N3 + N1,N2-bis(pyridin-2-ylmethyl)benzene-1,2-diamine (16552-45-7)

Guidance literature:

With sodium triacetoxy borohydride; In dichloromethane;

DOI:10.1002/adsc.200700462

upstream raw materials:

pyridine-2-carbaldehyde

1,2-diamino-benzene

1,2-diaminophenyl-N,N'-bis-(2-pyridinecarboxaldimine)

2-Hydroxymethylpyridine