3,3'-Dimethyloxacarbocyanineiodide

Base Information

• Chemical Name: 3,3'-Dimethyloxacarbocyanineiodide
• CAS No.: 14134-79-3
• Molecular Formula: C19H17IN2O2
• Molecular Weight: 432.261
• European Community (EC) Number: 237-987-4
• Mol file: 14134-79-3.mol

Synonyms:cyanine dye 1;cyanine dye 1chloride

Chemical Property of 3,3'-Dimethyloxacarbocyanineiodide

Chemical Property:

• Melting Point: 262℃
• PSA: 35.09000
• LogP: 0.12100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 432.03348
• Heavy Atom Count: 24
• Complexity: 448

Purity/Quality:

99% ^*data from raw suppliers

3,3'-Dimethyloxacarbocyanineiodide ^*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

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)C.[I-]
• Isomeric SMILES: CN\1C2=CC=CC=C2O/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)C.[I-]

Technology Process of 3,3'-Dimethyloxacarbocyanineiodide

There total 4 articles about 3,3'-Dimethyloxacarbocyanineiodide 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:

2,3-dimethylbenzoxazolium iodide (5260-36-6) + orthoformic acid triethyl ester (122-51-0) → 3-methyl-2-(3-(3-methylbenzoxazol-2(3H)-ylidene)prop-1-en-1-yl)benzoxazol-3-ium iodide (14134-79-3)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield:

orthoformic acid triethyl ester (122-51-0) → 3-methyl-2-(3-(3-methylbenzoxazol-2(3H)-ylidene)prop-1-en-1-yl)benzoxazol-3-ium iodide (14134-79-3)

Guidance literature:

With acetic anhydride;

Reference yield:

3,3'-dimethyl-2,2'-propanediyl-bis-benzoxazolium; diiodide → 3-methyl-2-(3-(3-methylbenzoxazol-2(3H)-ylidene)prop-1-en-1-yl)benzoxazol-3-ium iodide (14134-79-3)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III);

upstream raw materials:

2,3-dimethylbenzoxazolium iodide

N,N'-diphenylformamidine

orthoformic acid triethyl ester

Refernces