(4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid

Basic Information

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CAS Number

3368-04-5

Molecular Formula

C10H9O5P

Molecular Weight

256.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

215-218 ºC

Boiling Point

511.4°Cat760mmHg

Density

1.5830

Water Solubility

Soluble in water

Flash Point

263.1°C

Refractive Index

1.615

SMILES

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CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O

InChI

InChI=1S/C10H9O5P/c1-6-4-10(11)15-9-5-7(16(12,13)14)2-3-8(6)9/h2-5H,1H3,(H2,12,13,14)

InChIKey

GGQAZXRIQMUMTQ-UHFFFAOYSA-N

LogP

1.5729199999999999

Topological Polar Surface Area

96.97000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

398

Synonyms & References

English

SCHEMBL140039
2H-1-Benzopyran-2-one, 4-methyl-7-(phosphonooxy)-
CHEMBL255305
EINECS 222-137-7
4-Methyl-2-oxo-2H-1-benzopyran-7-ylphosphonic acid
CS-8089
FT-0619126
D92064
4-Methylumbelliferyl phosphate, free acid
2H-1-Benzopyran-2-one,4-methyl-7-(phosphonooxy)-
4-METHYLUMBELLIFERYLPHOSPHATE
MFCD00016969
P1060
M-5801
BCHIXGBGRHLSBE-UHFFFAOYSA-N
Q27462016
M-5800
4-Methylumbelliferyl phosphate, phosphatase substrate
4-Methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate
FT-0619125
(4-methyl-2-oxochromen-7-yl) dihydrogen phosphate
3368-04-5
AKOS015899733
4-Methylumbelliferyl phosphate
4-Methylumbelliferyl phosphate (4-MUP) Liquid Substrate System, liquid
KLV
PD043807
(4-Methyl-2-oxo-chromen-7-yl) dihydrogen phosphate
4-Methylumbelliferyl phosphate (free acid)
DTXSID8062995
HY-D0994

MDL Number

MFCD00016969

Customs Code

2932209090

FAQ

What are the physical and chemical properties of (4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid (CAS: 3368-04-5)?

(4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid is a crystalline solid with a molecular weight of approximately 258.23 g/mol. It is slightly soluble in water and has a pKa of 2.55. This compound is reactive, particularly towards nucleophiles and bases, making it suitable for various chemical synthesis applications.

How is (4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid (CAS: 3368-04-5) typically synthesized?

(4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid can be synthesized through the reaction of 4-methyl-7-hydroxychromene with phosphorous acid. This process yields the desired product with good selectivity and a high yield of up to 90%. Suitable conditions include refluxing the reaction mixture in an organic solvent such as dichloromethane.

What industries use (4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid (CAS: 3368-04-5)?

(4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid finds applications in the pharmaceutical industry for the synthesis of intermediates, in polymer chemistry for functionalizing polymers, and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid (CAS: 3368-04-5)?

When handling (4-Methyl-2-oxo-2H-chromen-7-yl)phosphonic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, neutralize it with a base before cleaning up. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines.