3,3'-Diethyltrimethinethiacyanine iodide

Base Information

• Chemical Name: 3,3'-Diethyltrimethinethiacyanine iodide
• CAS No.: 905-97-5
• Molecular Formula: C₂₁H₂₁N₂S₂*I
• Molecular Weight: 492.448
• European Community (EC) Number: 620-696-5
• NSC Number: 93472
• Mol file: 905-97-5.mol

Synonyms:3,3'-diethylthiacarbocyanine iodide

Chemical Property of 3,3'-Diethyltrimethinethiacyanine iodide

Chemical Property:

• Melting Point: 268-270 °C (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.29000
• Density: g/cm³
• LogP: 2.02380
• Sensitive.: Light Sensitive
• Solubility.: DMSO: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 492.01909
• Heavy Atom Count: 26
• Complexity: 474

Purity/Quality:

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

3,3'-Diethylthiacarbocyanine Iodide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C/C=C/C3=[N+](C4=CC=CC=C4S3)CC.[I-]
• Uses: 3,3''-Diethylthiacarbocyanine iodide is a dye for fluorescence study DTCI may be incorporated as a layer on gold nanorods, which can be used in surface enhanced resonance Raman spectroscopy (SERRS). It may be coated on a fused silica wafer, which can potentially be used in the development of solid state dye doped polymeric laser.

Technology Process of 3,3'-Diethyltrimethinethiacyanine iodide

There total 2 articles about 3,3'-Diethyltrimethinethiacyanine iodide 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:

N-ethyl-2-methylbenzothiazolium iodide (3119-93-5) + 3-Ethyl-2-{(1E,3E)-5-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-penta-1,3-dienyl}-benzothiazol-3-ium; chloride (54646-38-7) → 3-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]benzothiazolium iodide (2197-01-5) + 3,3'-diethylthiacarbocyanine iodide (905-97-5,57441-51-7,57441-59-5,149560-40-7) + 3-Ethyl-2-{(1E,3E)-5-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-penta-1,3-dienyl}-benzothiazol-3-ium; iodide (514-73-8,51895-78-4)

Guidance literature:

Multistep reaction. Title compound not separated from byproducts;

Reference yield:

N-ethyl-2-methylbenzothiazolium iodide (3119-93-5) + 2-<7-(3-ethyl-2-benzothiazolinylidene)-hepta-1,3,5-trien-1-yl>-3-ethylbenzothiazolium iodide (3071-70-3,65914-78-5,1201170-50-4) → 3-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]benzothiazolium iodide (2197-01-5) + 3,3'-diethylthiacarbocyanine iodide (905-97-5,57441-51-7,57441-59-5,149560-40-7) + 3-Ethyl-2-{(1E,3E)-5-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-penta-1,3-dienyl}-benzothiazol-3-ium; iodide (514-73-8,51895-78-4)

Guidance literature:

Multistep reaction. Title compound not separated from byproducts;

Reference yield: 90.0%

N,N'-diethylthiacarbocyanine iodide (905-97-5,57441-51-7,57441-59-5,149560-40-7) + sodium tetraphenyl borate (143-66-8) → 3,3'-diethylthiacarbocyanine tetraphenylborate

Guidance literature:

In dichloromethane; water; for 24h;

DOI:10.1039/c6ra21980b

upstream raw materials:

N-ethyl-2-methylbenzothiazolium iodide

3-Ethyl-2-{(1E,3E)-5-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-penta-1,3-dienyl}-benzothiazol-3-ium; chloride

2-<7-(3-ethyl-2-benzothiazolinylidene)-hepta-1,3,5-trien-1-yl>-3-ethylbenzothiazolium iodide

Downstream raw materials:

1,3-Benzothiazole

2-Methylbenzothiazole

2-ethylbenzothiazole

2-propylbenzo[d]thiazole

Refernces