6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid

Basic Information

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CAS Number

33458-93-4

Molecular Formula

C17H14O5

Molecular Weight

298.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

514.2°Cat760mmHg

Flash Point

192.9°C

Solubility

Insuluble (7.5E-5 g/L) (25 ºC),

Refractive Index

1.618

SMILES

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CC(C)OC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)

InChIKey

AQFFXPQJLZFABJ-UHFFFAOYSA-N

LogP

3.431600000000002

Topological Polar Surface Area

76.74000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

446

Synonyms & References

English

6-isopropoxy-9-oxo-9h-xanthene-2-carboxylic acid
Q27074359
SR-01000597664
BDBM85184
E85579
CHEBI:95289
6-Isopropoxy-9-oxoxanthene-2-carboxylic acid
33458-93-4
9H-Xanthene-2-carboxylic acid, 6-(1-methylethoxy)-9-oxo-
A913344
9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid
PDSP2_001532
AH 6809
SR-01000597664-2
Tocris-0671
PDSP1_001548
AH6809
BS-52004
9-OXO-6-(PROPAN-2-YLOXY)-9H-XANTHENE-2-CARBOXYLIC ACID
NSC_119461
AQFFXPQJLZFABJ-UHFFFAOYSA-N
EX-A7711
SCHEMBL1163801
6-Isopropoxy-9-xanthone-2-carboxylicacid
6-Isopropoxy-9-xanthone-2-carboxylic acid
L000101
DTXSID80187106
BRD-K59339270-001-01-8
NCGC00024721-01
AKOS024458601
HMS3411O12

MDL Number

MFCD08056083

FAQ

What are the physical and chemical properties of 6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid (CAS: 33458-93-4)?

6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid is a white crystalline solid with a molecular weight of approximately 317.36 g/mol. It has a low water solubility and is soluble in organic solvents such as dichloromethane and acetone. The compound is relatively stable but can react with strong bases. It has a melting point of around 210°C and a pKa of approximately 2.5.

How is 6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid (CAS: 33458-93-4) typically synthesized?

6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid is typically synthesized through a multistep process involving the protection of xanthene, introduction of the isopropoxy group, and subsequent acidification. Common starting materials include xanthene-2-carboxylic acid, which is converted via a series of reactions involving protecting groups and selective functionalization. The final step involves the removal of the protecting group to yield the desired compound.

What industries use 6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid (CAS: 33458-93-4)?

6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid finds applications in the pharmaceutical industry for the development of certain therapeutic agents. It is also used in the production of fluorescent dyes and sensors due to its photophysical properties. Additionally, it may have potential uses in the synthesis of novel materials and in the development of organic semiconductors.

What precautions should be taken when handling 6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid (CAS: 33458-93-4)?

When handling 6-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or with the use of a fume hood due to potential volatilization. In case of a spill, it should be contained and disposed of according to local regulations. Always consult the safety data sheet (SDS) for detailed handling and emergency procedures.