1,1',3,3,3',3'-Hexamethylindodicarbocyanine iodide

Base Information

• Chemical Name: 1,1',3,3,3',3'-Hexamethylindodicarbocyanine iodide
• CAS No.: 36536-22-8
• Molecular Formula: C27H31N2+
• Molecular Weight: 510.461
• European Community (EC) Number: 253-091-6
• Mol file: 36536-22-8.mol

Synonyms:1,1',3,3,3',3'-hexamethylindodicarbocyanine;1,1',3,3,3',3'-hexamethylindodicarbocyanine iodide;1,1'-HIDC

Chemical Property of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine iodide

Chemical Property:

• Melting Point: 264oC (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 6.25000
• Density: g/cm³
• LogP: 3.14430
• Solubility.: Soluble in methanol, dimethyl sulfoxide; partially soluble in wa
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 510.15320
• Heavy Atom Count: 30
• Complexity: 689

Purity/Quality:

97% ^*data from raw suppliers

Hexacyanine2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-]
• Isomeric SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C)C.[I-]
• Uses: Hexacyanine 2 is a known synthetic biological stain that is used in photodynamic therapy. Recent research has focused on the development of the combination of a photosensitizer with photoprotector cya nine dye as a novel antitumor strategy for the eradication of malignant cells expressing the multidrug-resistance phenotype. Hexacyanine 2 is a known synthetic biological stain that is used in photodynamic therapy. Recent research has focused on the development of the combination of a photosensitizer with photoprotector cyanine dye as a novel antitumor strategy for the eradication of malignant cells expressing the multidrug-resistance phenotype.

Technology Process of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine iodide

There total 17 articles about 1,1',3,3,3',3'-Hexamethylindodicarbocyanine 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: 98.0%

1,2,3,3-tetramethyl-3H-indolium iodide (5418-63-3) + phenyl[3-phenylaminoprop-2-en-1-ylidene]ammonium chloride (23769-16-6,28140-60-5,50328-50-2,58467-94-0,125367-88-6) → 1,3,3-trimethyl-2-((1E,3E,5E)-5-(1,3,3-trimethylindolin-2-ylidene)-penta-1,3-dien-1-yl)-3H-indol-1-ium iodide (36536-22-8)

Guidance literature:

With sodium acetate; In acetic anhydride; at 80 ℃; for 0.333333h; Microwave irradiation; Green chemistry;

DOI:10.1016/j.dyepig.2014.07.035

Reference yield: 64.0%

1,2,3,3-tetramethyl-3H-indolium iodide (5418-63-3) + N-((1E,3E)-3-(phenylimino)prop-1-enyl)benzenamine hydrochloride (58467-94-0) → 1,3,3-trimethyl-2-((1E,3E,5E)-5-(1,3,3-trimethylindolin-2-ylidene)-penta-1,3-dien-1-yl)-3H-indol-1-ium iodide (36536-22-8)

Guidance literature:

With sodium acetate; acetic anhydride; at 40 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00475

Reference yield: 64.0%

1,2,3,3-tetramethyl-3H-indolium iodide (5418-63-3) + 1-anilino-3-phenyliminopropene (4485-89-6) → 1,3,3-trimethyl-2-((1E,3E,5E)-5-(1,3,3-trimethylindolin-2-ylidene)-penta-1,3-dien-1-yl)-3H-indol-1-ium iodide (36536-22-8)

Guidance literature:

With sodium acetate; acetic anhydride; at 40 - 60 ℃; for 2h;

DOI:10.1021/acs.jmedchem.6b00038

upstream raw materials:

1,2,3,3-tetramethyl-3H-indolium iodide

2-(2-Anilino-vinyl)-1,3,3-trimethyl-3H-indolium-jodid

1-anilino-3-phenyliminopropene

phenyl[3-phenylaminoprop-2-en-1-ylidene]ammonium chloride

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