1,1-Diethyl-2,2-dicarbocyanineiodide

Base Information

• Chemical Name: 1,1-Diethyl-2,2-dicarbocyanineiodide
• CAS No.: 14187-31-6
• Molecular Formula: C₂₇H₂₇N₂*I
• Molecular Weight: 506.429
• European Community (EC) Number: 238-040-8
• Mol file: 14187-31-6.mol

Synonyms:14187-31-6;1-Ethyl-2-(5-(1-ethylquinolin-2(1H)-ylidene)penta-1,3-dien-1-yl)quinolin-1-ium iodide;AKOS030513731;1,1-DIETHYL-2,2-DICARBOCYANINEIODIDE;1-ethyl-2-((1E,3E,5Z)-5-(1-ethylquinolin-2(1H)-ylidene)penta-1,3-dien-1-yl)quinolin-1-ium iodide

Chemical Property of 1,1-Diethyl-2,2-dicarbocyanineiodide

Chemical Property:

• Melting Point: 263-265 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 8.81000
• Density: g/cm³
• LogP: 2.45700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 506.12190
• Heavy Atom Count: 30
• Complexity: 591

Purity/Quality:

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

1,1′-Diethyl-2,2′-dicarbocyanine iodide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Carbocyanine Dyes
• Canonical SMILES: CCN1C(=CC=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]
• Isomeric SMILES: CCN1/C(=C\C=C\C=C\C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-]

Technology Process of 1,1-Diethyl-2,2-dicarbocyanineiodide

There total 4 articles about 1,1-Diethyl-2,2-dicarbocyanineiodide 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:

1-ethyl-2-methylquinolinium iodide (606-55-3) + 1-anilino-3-phenyliminopropene (4485-89-6) → 1,1'-diethyl-2,2'-dicarbocyanine iodide (14187-31-6,15185-49-6)

Guidance literature:

With potassium acetate; acetic anhydride;

Reference yield:

1,3,3-tris-ethylsulfanyl-propene + 1-ethyl-2-methylquinolinium iodide (606-55-3) → 1,1'-diethyl-2,2'-dicarbocyanine iodide (14187-31-6,15185-49-6)

Guidance literature:

With acetic anhydride; triethylamine;

Reference yield:

1-ethyl-2-methylquinolinium iodide (606-55-3) + 2-(4-Aethoxy-buta-1,3-dienyl)-1-aethyl-chinolinium-jodid → 1,1'-diethyl-2,2'-dicarbocyanine iodide (14187-31-6,15185-49-6)

Guidance literature:

With pyridine;

upstream raw materials:

1-ethyl-2-methylquinolinium iodide

1-anilino-3-phenyliminopropene