6-Carboxy-X-rhodamine

Base Information

• Chemical Name: 6-Carboxy-X-rhodamine
• CAS No.: 194785-18-7
• Molecular Formula: C33H30N2O5
• Molecular Weight: 534.612
• Hs Code.: 3212900000
• European Community (EC) Number: 634-971-2
• DSSTox Substance ID: DTXSID60376334
• Mol file: 194785-18-7.mol

Synonyms:6-carboxy-X-rhodamine

Chemical Property of 6-Carboxy-X-rhodamine

Chemical Property:

• PSA: 97.05000
• LogP: 5.12340
• Storage Temp.: −20°C
• Solubility.: DMSO: soluble
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 534.21547206
• Heavy Atom Count: 40
• Complexity: 1200

Purity/Quality:

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

6-Carboxy-X-rhodamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiXn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-48/20/22-40-36/38-22
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)[O-])C(=O)O)CCC7
• Uses: 6-Carboxy-X-rhodamine is a single isomer, long wavelength rhodamine dye. 6-Carboxy-X-rhodamine is a rhodamine based dye for use in tracer agents, laser dyes, labeling agents for biologics, etc.

Technology Process of 6-Carboxy-X-rhodamine

There total 15 articles about 6-Carboxy-X-rhodamine 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: 82.0%

8-hydroxyjulolidine (41175-50-2) + 1-oxo-1,3-dihydro-3-hydroxy-2-benzofuran-5-carboxylic acid → 6-carboxy-X-rhodamine (194785-18-7)

Guidance literature:

With oxygen; In 2,2,2-trifluoroethanol; water; at 80 ℃; for 20h; regioselective reaction;

DOI:10.1021/acs.orglett.6b02635

Reference yield: 77.0%

6-carboxy-X-rhodamine N-ethylisopropylamine salt → 6-carboxy-X-rhodamine (194785-18-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water monomer; at 25 ℃; for 1h; Large scale;

Reference yield: 34.0%

8-hydroxyjulolidine (41175-50-2) + trimellitic Anhydride (552-30-7,145253-53-8) → 6-carboxy-X-rhodamine (194785-18-7) + 5-carboxy-X-rhodamine (216699-35-3)

Guidance literature:

With sulfuric acid; In n-PrCO₂H; for 12h; Reflux;

DOI:10.1021/ol801904k

upstream raw materials:

8-hydroxyjulolidine

trimellitic Anhydride

2,5-dibromobenzaldehyde

5-carboxyphtalide

Refernces

• 1、 -. "Compounds and Method for Imaging Cancer". Paragraph 0041; 0098. . Retrieved 2018/10/21.
• 2、 -. "METHODS FOR SYNTHESIZING RHODAMINE DYES". Paragraph 0101. . Retrieved 2017/05/17.