Coumarin-3-carboxylic acid succinimidyl ester

Base Information

• Chemical Name: Coumarin-3-carboxylic acid succinimidyl ester
• CAS No.: 148627-84-3
• Molecular Formula: C₁₄H₉NO₆
• Molecular Weight: 287.229
• DSSTox Substance ID: DTXSID20164037
• Nikkaji Number: J1.902.431H
• Wikidata: Q72472899
• Mol file: 148627-84-3.mol

Synonyms:coumarin-3-carboxylic acid succinimidyl ester;SECCA ester;succinimidyl coumarin-3-carboxylate

Chemical Property of Coumarin-3-carboxylic acid succinimidyl ester

Chemical Property:

• Vapor Pressure: 8.72E-10mmHg at 25°C
• Refractive Index: 1.653
• Boiling Point: 491°Cat760mmHg
• Flash Point: 250.7°C
• PSA: 93.89000
• Density: 1.56g/cm³
• LogP: 0.95170
• Storage Temp.: −20°C
• Solubility.: DMF: soluble
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 287.04298701
• Heavy Atom Count: 21
• Complexity: 536

Purity/Quality:

98%Min ^*data from raw suppliers

Coumarin-3-carboxylic acid succinimidylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC3=CC=CC=C3OC2=O

Technology Process of Coumarin-3-carboxylic acid succinimidyl ester

There total 1 articles about Coumarin-3-carboxylic acid succinimidyl ester 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: 55.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 2-oxo-2H-chromene-3-carboxylic acid (531-81-7) → coumarin-3-carboxylic acid succinimidyl ester (148627-84-3)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2012.12.051

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

2-oxo-2H-chromene-3-carboxylic acid