Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride

Base Information

• Chemical Name: Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride
• CAS No.: 39393-39-0
• Molecular Formula: C29H33 N2 O3 . Cl
• Molecular Weight: 493.046
• Hs Code.: 3204.13
• European Community (EC) Number: 609-669-9
• DSSTox Substance ID: DTXSID20885770
• Mol file: 39393-39-0.mol

Synonyms:Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride;[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium;chloride;Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride;Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride (1:1);Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1);DTXSID20885770

Chemical Property of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride

Chemical Property:

• Appearance/Colour: bluish violet powder
• Melting Point: 205oC (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 9.49000
• Density: g/cm³
• LogP: 1.46360
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 492.2179706
• Heavy Atom Count: 35
• Complexity: 826

Purity/Quality:

98%Min ^*data from raw suppliers

SEVRON BRILLIANT RED D 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Not regulated UN NO.
• Hazard Codes: Xn
• Statements: 52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.[Cl-]

Technology Process of Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride

There total 2 articles about Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride 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: 82.1%

rhodamine B (81-88-9) + methyl iodide (74-88-4) → rhodamine B (39393-39-0)

Guidance literature:

With potassium carbonate; In acetone; at 65 ℃; for 12h; Inert atmosphere;

Reference yield:

methanol (67-56-1) + rhodamine B (81-88-9) → rhodamine B (39393-39-0)

Guidance literature:

With sulfuric acid; at 50 ℃;

DOI:10.1002/1097-458X(200006)38:6<475::AID-MRC662>3.0.CO;2-X

Reference yield: 74.0%

rhodamine B (39393-39-0) → 9-(2-hydroxylmethylphenyl)-3,6-bis(diethylamino)-xanthylium chloride (1235977-21-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere; Cooling with ice;

upstream raw materials:

methanol

rhodamine B

methyl iodide

Downstream raw materials:

rhodamine B hydrazide

9-(2-hydroxylmethylphenyl)-3,6-bis(diethylamino)-xanthylium chloride

Refernces

• 1、 -. "Salt and colored curable composition". Paragraph 0433-0435. . Retrieved 2017/01/31.