IR-775 chloride

Base Information

• Chemical Name: IR-775 chloride
• CAS No.: 199444-11-6
• Molecular Formula: C32H36ClN2.Cl
• Molecular Weight: 519.557
• Hs Code.: 29339900
• European Community (EC) Number: 812-331-5
• Mol file: 199444-11-6.mol

Synonyms:IR-775 chloride;(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;chloride;IR 775 Chloride;199444-11-6;SCHEMBL18263254;IR-775 chloride, Dye content ~90 %;BS-43942

Chemical Property of IR-775 chloride

Chemical Property:

• Melting Point: 208-215oC
• PSA: 6.25000
• LogP: 5.19130
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 518.2255545
• Heavy Atom Count: 36
• Complexity: 931

Purity/Quality:

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

IR 775 Chloride >90.0%(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[Cl-]
• Isomeric SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C\4/C(C5=CC=CC=C5N4C)(C)C)/CCC3)Cl)C)C.[Cl-]
• Use Description: IR-775 chloride, a chemical compound, has various applications in different fields. In the field of dye chemistry, it serves as a chromophore and can be used to impart color to various materials, including textiles, plastics, and paints. Its role is pivotal in the creation of vibrant and long-lasting pigments, contributing to the aesthetics and functionality of colored products. Additionally, in the field of fluorescence microscopy and biological research, IR-775 chloride can be used as a fluorescent dye to label biomolecules and cellular structures, aiding in the visualization and study of biological processes. Furthermore, in the petrochemical industry, it may find utility as a tracer or marker for various applications, including monitoring fuel distribution and identifying leaks. Its multifaceted applications underscore its significance in dye production, biological research, and industrial processes, ultimately supporting a wide range of industries and scientific endeavors.

Technology Process of IR-775 chloride

There total 1 articles about IR-775 chloride 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: 48.0%

1,3,3-Trimethyl-2-methyleneindoline (118-12-7) + N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride (63857-00-1,70446-42-3) → C38H42N3(1+)*Cl(1-) + IR-775 chloride (199444-11-6)

Guidance literature:

With acetic anhydride; at 50 ℃; for 3h;

Reference yield:

IR-775 chloride (199444-11-6) → C36H38N3O3(1+)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / 6 h / 55 °C

2: N-ethyl-N,N-diisopropylamine / acetonitrile / 5 h / 70 °C

3: piperidine / N,N-dimethyl-formamide / 0.25 h / 25 °C

With piperidine; potassium carbonate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1002/anie.201911859

Reference yield:

IR-775 chloride (199444-11-6) → C54H59N6O9(1+)*Cl(1-)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / acetonitrile / 0.33 h / 25 °C / Inert atmosphere

1.2: 6 h / 50 °C / Inert atmosphere

2.1: dichloromethane / 0.5 h / 0 - 25 °C / Inert atmosphere

3.1: potassium carbonate / dichloromethane / 0.5 h / 25 °C / Inert atmosphere

3.2: 5 h / 25 °C / Inert atmosphere

With potassium carbonate; In dichloromethane; acetonitrile;

DOI:10.1002/anie.201710727

upstream raw materials:

1,3,3-Trimethyl-2-methyleneindoline

N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride

Refernces