2-Oxo-2H-chromene-6-sulfonyl chloride

Base Information

• Chemical Name: 2-Oxo-2H-chromene-6-sulfonyl chloride
• CAS No.: 10543-42-7
• Molecular Formula: C9H5ClO4S
• Molecular Weight: 244.655
• Hs Code.: 2932209090
• European Community (EC) Number: 635-165-3
• DSSTox Substance ID: DTXSID20370979
• Nikkaji Number: J1.518.021H
• Wikidata: Q72461604
• Mol file: 10543-42-7.mol

Synonyms:coumarin-6-sulfonyl chloride

Chemical Property of 2-Oxo-2H-chromene-6-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.19E-07mmHg at 25°C
• Melting Point: 110-113
• Refractive Index: 1.619
• Boiling Point: 431.6 °C at 760 mmHg
• Flash Point: 214.8 °C
• PSA: 72.73000
• Density: 1.591 g/cm³
• LogP: 2.80130
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 243.9597075
• Heavy Atom Count: 15
• Complexity: 395

Purity/Quality:

99%, ^*data from raw suppliers

Coumarin-6-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=O)O2)C=C1S(=O)(=O)Cl
• Uses: Coumarin-6-sulfonyl chloride is used to label amines, amino acids and phenols under mild conditions. Coumarin-6-sulfonyl chloride is used as a derivatizing agent for amines and phenols.

Technology Process of 2-Oxo-2H-chromene-6-sulfonyl chloride

There total 4 articles about 2-Oxo-2H-chromene-6-sulfonyl 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: 94.0%

coumarin (91-64-5) → 2-oxo-2H-chromene-6-sulfonyl chloride (10543-42-7)

Guidance literature:

With chlorosulfonic acid; at 0 - 20 ℃; for 1.5h;

DOI:10.1007/s13738-021-02344-3

Reference yield:

coumarin (91-64-5) → 2-oxo-2H-chromene-6-sulfonyl chloride (10543-42-7) + 2-oxo-2H-chromene-6-sulfonic acid (27279-86-3)

Guidance literature:

With chlorosulphuric acid;

Reference yield:

→ 2-oxo-2H-chromene-6-sulfonyl chloride (10543-42-7)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

coumarin

chlorosulfonic acid

Downstream raw materials:

4-(2-oxo-2H-chromene-6-sulfonylamino)-benzoic acid

2-oxo-2H-chromene-6-sulfonic acid anilide

2-Oxo-2H-chromene-6-sulfonic acid p-tolyl ester

2-Oxo-2H-chromene-6-sulfonic acid 4-bromo-phenyl ester

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