3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid

Basic Information

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CAS Number

119736-16-2

Molecular Formula

C13H10O5

Molecular Weight

246.22 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

487.5±45.0°C at 760 mmHg

SMILES

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C1=CC=C(C=C1)COC2=C(OC=CC2=O)C(=O)O

InChI

InChI=1S/C13H10O5/c14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)

InChIKey

KJSJBKBZMGSIPT-UHFFFAOYSA-N

LogP

1.917

Topological Polar Surface Area

76.74000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

402

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)-
3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid
4-Oxo-3-[(phenylmethyl)oxy]-4H-pyran-2-carboxylic Acid
4-Oxo-3-(phenylmethoxy)-4H-pyran-2-carboxylic acid
4-oxo-3-((phenylmethyl)oxy)-4h-pyran-2-carboxylic acid
AK171248
3-benzyloxy-4-oxo-4H-pyran-2-carboxylic acid
KJSJBKBZMGSIPT-UHFFFAOYSA-N
FCH2895455
SY232339
4-oxo-3-[(phenylmethyl)oxy]-4h-pyran-2-carboxylic acid
AKOS025289751
AS-51745
PB39837
P13425
4-oxo-3-phenylmethoxypyran-2-carboxylic acid
119736-16-2
MFCD22741607
DA-24987
CS-0051716
BPCA
3-(benzyloxy)-4-oxo-4h-pyran-2-carboxylicacid
3-(benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid
3-(BENZYLOXY)-4-OXOPYRAN-2-CARBOXYLIC ACID
SCHEMBL3308907
SCHEMBL86223
AMY12435
A858085
AC-28740

MDL Number

MFCD22741607

FAQ

What is 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid (CAS: 119736-16-2)?

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid is an organic compound with the molecular formula C13H10O4. It is a white solid with a characteristic melting point. This compound is used primarily in pharmaceutical research and as an intermediate in chemical syntheses.

What are the main uses of 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid (CAS: 119736-16-2)?

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid is mainly used in pharmaceutical research and as an intermediate in the synthesis of other compounds. It plays a role in the development of new drugs and in the modification of existing ones.

Is 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid (CAS: 119736-16-2) safe?

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid is generally considered safe for research use when handled with appropriate precautions. However, it is important to follow proper safety guidelines, including the use of gloves and goggles, and to ensure proper ventilation in the work area. It is not considered toxic or harmful in the absence of direct contact or inhalation.

How should 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid (CAS: 119736-16-2) be stored?

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent exposure to air and light. The ideal storage temperature is between 15°C and 25°C. Avoid storing it in high humidity environments to prevent degradation.