Kryptocyanine

Base Information

• Chemical Name: Kryptocyanine
• CAS No.: 4727-50-8
• Deprecated CAS: 116777-19-6
• Molecular Formula: C25H25 N2 . I
• Molecular Weight: 480.391
• Hs Code.: 29334990
• European Community (EC) Number: 225-224-8
• ChEMBL ID: CHEMBL1989021
• NSC Number: 34391
• Mol file: 4727-50-8.mol

Synonyms:NK 5;NK-5;1,1'-diethyl-4,4'-carbocyanine;crytocyanine;kryptocyanine;kryptocyanine, ethyl sulfate

Chemical Property of Kryptocyanine

Chemical Property:

• Appearance/Colour: dark green fine crystalline powder
• Vapor Pressure: 8.89E-13mmHg at 25°C
• Melting Point: 250.5-253 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 8.81000
• Density: g/cm³
• LogP: 1.90080
• Storage Temp.: 0-6°C
• Sensitive.: Light Sensitive
• Solubility.: soluble in Ethanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 480.10625
• Heavy Atom Count: 28
• Complexity: 527

Purity/Quality:

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

1,1′-Diethyl-4,4′-carbocyanine iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 28-36/37/38
• Safety Statements: 26-28-36/37-45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]
• Isomeric SMILES: CCN1C=C/C(=C\C=C/C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41.[I-]
• Uses: Organic dye, soluble, used as a chemical shutter in laser operation. Suitable as laser dye

Technology Process of Kryptocyanine

There total 10 articles about Kryptocyanine 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: 64.0%

N-ethyl-4-methylquinolinium iodide (605-59-4) + N,N'-diphenylformamidine (864131-95-3) → cryptocyanine (4727-50-8)

Guidance literature:

With sodium acetate; In acetic acid; at 100 ℃; for 1.5h; Inert atmosphere;

Reference yield: 45.0%

N-ethyl-4-methylquinolinium iodide (605-59-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1,1'-diethyl-4,4'-quinocarbocyanine iodide (4727-50-8)

Guidance literature:

With triethylamine; trichlorophosphate; Heating;

Reference yield: 42.5%

N-ethyl-4-methylquinolinium iodide (605-59-4) + 1-ethyl-4-(2-(N-phenyl-acetamido)vinyl)quinolin-1-ium iodide (56278-25-2) → cryptocyanine (4727-50-8)

Guidance literature:

With triethylamine; In ethanol; for 1h; Reflux;

DOI:10.1016/j.dyepig.2014.01.014

upstream raw materials:

4-[2-(N-acetyl-anilino)-vinyl]-1-ethyl-quinolinium; iodide

N-ethyl-4-methylquinolinium iodide

N,N'-diphenylformamidine

formaldehyd

Downstream raw materials:

1,1'-Diethyl-4,4'-cyanine iodide

Refernces

• 1、 Miao, Jia-Tao,Wu, Xing-Zhi,Sun, Ru,Song, Ying-Lin,Ge, Jian-Feng. "The third-order nonlinear optical properties of charge flowable trimethine cyanine with quinolone groups". . p. 41 - 46. Retrieved 2014/03/21.