(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid

Basic Information

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CAS Number

158722-22-6

Molecular Formula

C16H13NO3

Molecular Weight

267.28 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

Melting Point

203-204 ºC

SMILES

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C1=CC=C(C=C1)C2C(OC(=N2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H13NO3/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)/t13-,14+/m0/s1

InChIKey

BPBOFBFRBITMMR-UONOGXRCSA-N

LogP

2.6578999999999997

Topological Polar Surface Area

58.89 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

381

Synonyms & References

English

(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid
(4S,5R)-2,4-Diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid
Said chain of Paclitaxel 2
(4S,5R)-4,5-dihydro-2,4-diphenyloxazole-5-carboxylic acid
AKOS015999667
CS-0210936
(4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-carboxylic acid
BPBOFBFRBITMMR-UONOGXRCSA-N
DB-200322
SCHEMBL3762198
(4S-trans)-4,5-Dihydro-2,4-diphenyl-5-oxazolecarboxylic acid
(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylicacid
AMY21996
158722-22-6
MFCD22494932
(4S-trans)-4,5-Dihydro-2 4-diphenyl-5-oxazolecarboxylic Acid
DTXSID40430827
A851759
5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (4S,5R)-
F12547

MDL Number

MFCD22494932

FAQ

What regulatory guidelines apply to (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid (CAS: 158722-22-6)?

The (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid (CAS: 158722-22-6) falls under the scope of the REACH regulations in the European Union, which requires registration for substances above a certain tonnage. Additionally, it is classified under GHS as a toxic substance, with specific handling and storage guidelines. In the USA, it is regulated by the EPA and may require reporting under the Toxic Substances Control Act (TSCA). FDA may also have specific requirements for any pharmaceutical applications.

Are there alternatives to (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid in synthesis?

While (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid (CAS: 158722-22-6) is a specific compound, its synthesis can be optimized using alternative reagents or reactions. For instance, using phenyl isothiocyanates instead of phenyl isocyanates can sometimes be a viable alternative. Other isomers or analogs, such as (4S,5S)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylic acid, might also be explored depending on the specific application.

What is the market or research trend for (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid (CAS: 158722-22-6)?

The market for (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid (CAS: 158722-22-6) is primarily driven by its applications in pharmaceuticals, where it serves as a key intermediate in the synthesis of certain drugs. Recent research trends indicate an increasing focus on its use in drug discovery and development, particularly for treating inflammatory and autoimmune diseases. Additionally, there is growing interest in its potential use in the development of new antimicrobial agents.

How should waste containing (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid (CAS: 158722-22-6) be handled?

Waste containing (4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid (CAS: 158722-22-6) should be collected in appropriate containers and disposed of according to the local waste regulations. Safe disposal methods include incineration, which is a common practice for toxic chemicals, or professional waste disposal services. Environmental protection measures should be taken to prevent any potential contamination of soil or water. Additionally, proper personal protective equipment (PPE) should be used during handling to ensure the safety of personnel and the environment.