di(1H-imidazol-1-yl)methanimine

Base Information

• Chemical Name: di(1H-imidazol-1-yl)methanimine
• CAS No.: 104619-51-4
• Molecular Formula: C7H7N5
• Molecular Weight: 161.166
• Hs Code.: 2933290090
• European Community (EC) Number: 861-313-3
• DSSTox Substance ID: DTXSID00463272
• Nikkaji Number: J1.814.517K
• Wikidata: Q72515382
• Mol file: 104619-51-4.mol

Synonyms:di(1H-imidazol-1-yl)methanimine;104619-51-4;di(imidazol-1-yl)methanimine;1-(1H-imidazole-1-carboximidoyl)-1H-imidazole;Di(1-imidazolyl)methanimine;1,1'-CARBONIMIDOYLBIS-1H-IMIDAZOLE;C-(DI-IMIDAZOL-1-YL)-METHYLENEAMINE;MFCD10699388;1H-Imidazole, 1,1'-carbonimidoylbis-;SCHEMBL559183;(diimidazol-1-yl)-methyleneamine;AMY9119;DTXSID00463272;FKGQRXQOODICAT-UHFFFAOYSA-N;(di-imidazol-1-yl)-methyleneamine;CS-D0450;1,1-di-1H-imidazol-1-ylmethanimine;1,1'-Carbonimidoylbis[1H-imidazole];AKOS005266707;MB08790;1,1-di-1H-imidazol-1-yl-methyleneamine;SY023123;FT-0697229;1-(IMIDAZOLE-1-CARBOXIMIDOYL)IMIDAZOLE;EN300-182746

Chemical Property of di(1H-imidazol-1-yl)methanimine

Chemical Property:

• Melting Point: 103-104 °C
• Boiling Point: 355.1 °C at 760 mmHg
• PKA: 4.19±0.70(Predicted)
• Flash Point: 168.5 °C
• PSA: 59.49000
• Density: 1.38 g/cm³
• LogP: 0.51050
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 161.07014524
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

Di(1H-imidazol-1-yl)methanimine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)C(=N)N2C=CN=C2

Technology Process of di(1H-imidazol-1-yl)methanimine

There total 5 articles about di(1H-imidazol-1-yl)methanimine 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: 99.0%

1H-imidazole (288-32-4) + bromocyane (506-68-3) → di(1H-imidazol-1-yl)methanimine (104619-51-4)

Guidance literature:

In dichloromethane; for 0.5h; Inert atmosphere; Reflux;

Reference yield:

1H-imidazole (288-32-4) + sodium cyanide (773837-37-9) → N-cyanoimidazole (36289-36-8) + di(1H-imidazol-1-yl)methanimine (104619-51-4)

Guidance literature:

With sodium hypochlorite; In water-d2; at 20 ℃; pH=7;

DOI:10.1039/c7cc08489g

Reference yield:

1H-imidazole (288-32-4) + cyanomethyl bromide (590-17-0) → di(1H-imidazol-1-yl)methanimine (104619-51-4)

Guidance literature:

In dichloromethane; for 0.5h; Heating / reflux;

upstream raw materials:

1H-imidazole

bromocyane

cyanomethyl bromide

sodium cyanide

Downstream raw materials:

N-phenyl-imidazole-1-carboxamidine

1H-benzimidazol-2-amine

N-methyl-N-phenyl-imidazole-1-carboxamidine

3-amino-s-triazolo-<4,3-a>-pyridne

Refernces

• 1、 -. "INHIBITORS OF HEPATITIS C VIRUS REPLICATION". Paragraph 0910-0911. . Retrieved 2019/05/15.
• 2、 Turo?kin, Aleksej,Honeker, Roman,Raven, William,Selig, Philipp. "Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine". . p. 4516 - 4529. Retrieved 2016/07/06.