5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid

Basic Information

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CAS Number

18735-74-5

Molecular Formula

C11H9NO3

Molecular Weight

203.2 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

182 °C

Boiling Point

400.1℃ at 760 mmHg

Density

1.273

Flash Point

195.8°C

SMILES

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CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H9NO3/c1-7-9(11(13)14)12-10(15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChIKey

YABCPNYCFFUVNM-UHFFFAOYSA-N

LogP

2.3482200000000004

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

238

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

NSC255239
DTXSID90312482
CS-W005617
18735-74-5
SCHEMBL2179708
W-206365
2-phenyl-5-methyl-oxazole-4-carboxylic acid
HMS1689I07
5-methyl-2-phenyloxazol-4-ylcarboxylic acid
SR-01000364973
HMS3363G13
5-Methyl-2-phenyl-oxazole-4-carboxylic acid
MFCD00275475
FT-0657097
5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid, AldrichCPR
BAS 09857875
CHEMBL1087213
Z55993031
4-Oxazolecarboxylic acid, 5-methyl-2-phenyl-
SY015421
AKOS000117719
MLS000715695
YABCPNYCFFUVNM-UHFFFAOYSA-N
EN300-09149
DS-1705
4-Oxazolecarboxylicacid,5-methyl-2-phenyl-
HMS2635N08
TS-02887
5-methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
A813141
SR-01000364973-1

MDL Number

MFCD00275475

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid (CAS: 18735-74-5)?

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid is a white crystalline solid with a molecular weight of 231.25 g/mol. It is slightly soluble in water but soluble in common organic solvents. Chemically, it is stable under normal conditions but can react with strong acids and bases. It exhibits characteristic acidic behavior due to the carboxylic acid group.

How is 5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid (CAS: 18735-74-5) typically synthesized?

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid is synthesized through a multi-step process involving the condensation of 2-phenyl-1,3-oxazole with acetic anhydride followed by hydrolysis. The reaction is catalyzed by a suitable acid to enhance selectivity and yield, typically around 85-90%.

What industries use 5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid (CAS: 18735-74-5)?

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in polymer production, particularly in the development of functional polymers. Additionally, it is used in the fabrication of chemical sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid (CAS: 18735-74-5)?

When handling 5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid, it is important to use personal protective equipment (PPE) such as gloves and goggles. It should be stored in a dry, cool place away from direct sunlight and heat sources. In case of spills, neutralize with a base solution and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.