N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine

Base Information

• Chemical Name: N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine
• CAS No.: 14526-01-3
• Molecular Formula: C18H13N5
• Molecular Weight: 299.335
• DSSTox Substance ID: DTXSID40368151
• Mol file: 14526-01-3.mol

Synonyms:SMR000060306;MLS000054806;1,3-bis(2-pyridylimino)isoindole;N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine;SCHEMBL9976117;BDBM38947;cid_2335342;DTXSID40368151;KUC107847N;1,3-bis-(2'-pyridylimino)isoindoline;KSC-09-262;14526-01-3;10.14272/BSMBZDDPUMOQPJ-UHFFFAOYSA-N.1;2-pyridyl-[3-(2-pyridylimino)isoindol-1-yl]amine;doi:10.14272/BSMBZDDPUMOQPJ-UHFFFAOYSA-N.1;N-pyridin-2-yl-3-pyridin-2-ylimino-isoindol-1-amine;N-(2-pyridinyl)-3-(2-pyridinylimino)-1-isoindolamine

Chemical Property of N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 299.11709544
• Heavy Atom Count: 23
• Complexity: 472

Purity/Quality:

97-99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC2=NC3=CC=CC=N3)NC4=CC=CC=N4
• Isomeric SMILES: C1=CC=C\2C(=C1)C(=N/C2=N\C3=CC=CC=N3)NC4=CC=CC=N4

Technology Process of N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine

There total 2 articles about N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine 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: 75.0%

2-aminopyridine (504-29-0) + tert-butylisonitrile (119072-55-8,7188-38-7) + o-formylbenzonitrile (7468-67-9) → 1,3-bis-(2-pyridylimino)isoindoline (14526-01-3) + 2-(3-tert-butylamino-imidazo[1,2-a]pyridin-2-yl)benzonitrile

Guidance literature:

2-aminopyridine; o-formylbenzonitrile; With perchloric acid; In dichloromethane; at 20 ℃; for 1h;

tert-butylisonitrile; In dichloromethane; for 12h; Solvent; Temperature;

DOI:10.1039/c5ra03703d

Reference yield: 16.0%

2-aminopyridine (504-29-0) + phthalonitrile (91-15-6) → 1,3-bis-(2-pyridylimino)isoindoline (14526-01-3) + 29H,31H-Phthalocyanine (574-93-6)

Guidance literature:

With neodymium(III) iodide; In benzene; at 80 ℃; for 20h; Inert atmosphere;

DOI:10.1007/s11172-008-0293-3

Reference yield: 92.0%

copper(II) perchlorate hexahydrate + 1,3-bis(2'-pyridylimino)isoindoline (14526-01-3,92411-50-2) + benzoic acid (65-85-0,8013-63-6) → (1,3-bis(2-pyridylimino)isoindoline)(benzoato)aquacopper(II) (1338598-94-9)

Guidance literature:

With Et₃N; In acetonitrile; stirred soln. of Cu(ClO4)2*6H2O in CH3CN treated with 1 equiv. of 1,3-bis(2-pyridylimino)isoindoline, stirred for 30 min at room temp., treated with 1 equiv. of Et3N dropwise, treated with 4 equiv. of carboxylic acid, stirred at room temp. for 3 h; filtered, washed (CH3CN), dried (vac.), elem. anal.;

DOI:10.1016/j.inoche.2011.08.005

upstream raw materials:

2-aminopyridine

phthalonitrile

tert-butylisonitrile

o-formylbenzonitrile

Downstream raw materials:

C₃₃H₂₃CuN₅O₂

Cu(II)(1,3-bis(2-pyridylimino)isoindolinate)(O-benzoylsalicylic acid)

Cu(I)(1,3-bis(2-pyridylimino)isoindoline)(O-benzoylsalicylic acid)

(Cu(I)(flavonolate)(1,3-bis(2-pyridylimino)isoindoline))