3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene)-, sodium salt

Base Information

• Chemical Name: 3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene)-, sodium salt
• CAS No.: 62796-23-0
• Molecular Formula: C26H33 N3 O6 S2 . Na
• Molecular Weight: 569.678
• European Community (EC) Number: 636-309-8
• Mol file: 62796-23-0.mol

Synonyms:MC 540;merocyanine 540;merocyanine dye

Chemical Property of 3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene)-, sodium salt

Chemical Property:

• Melting Point: 285 °C (dec.)(lit.)
• PSA: 156.36000
• LogP: 4.22630
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 569.16302238
• Heavy Atom Count: 38
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Merocyanine540(90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN1C(=O)C(=CC=CC=C2N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]
• Uses: Sensitive probe for membrane potential. Selective staining of immature hemopoietic cells in flow cytometry. Merocyanine 540 is a fluorescent axonal stain.

Technology Process of 3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene)-, sodium salt

There total 2 articles about 3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene)-, sodium salt 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:

Sodium; 3-{2-[(Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidene)-but-2-en-(E)-ylidene]-benzooxazol-3-yl}-propane-1-sulfonate → merocyanine 540 (62796-23-0)

Guidance literature:

In ethanol; at 22 ℃; Rate constant;

DOI:10.1039/a701638g

Reference yield:

merocyanine 540 (62796-23-0) → merocyanine 540 (62796-23-0)

Guidance literature:

In ethanol; Rate constant; Irradiation;

DOI:10.1039/a801248b

Reference yield:

merocyanine 540 (62796-23-0) → merocyanine 540 (62796-23-0)

Guidance literature:

In ethanol; Rate constant; Irradiation;

DOI:10.1039/a801248b

Refernces

• 1、 Benniston, Andrew C.,Gulliya, Kirpal S.,Harriman, Anthony. "Spin-orbital coupling effects on the photophysical properties and photocytotoxicity of merocyanine dyes". . p. 2491 - 2501. Retrieved 2007/10/03.