N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine

Basic Information

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CAS Number

4825-86-9

Molecular Formula

C20H19NO6

Molecular Weight

369.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

221° (van der Merwe)

Flash Point

-11 °C

Specific Rotation

D -35° (c = 0.15 in ethanol)

SMILES

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C[C@@H]1Cc2ccc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O

InChI

InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1

InChIKey

DAEYIVCTQUFNTM-ABAIWWIYSA-N

LogP

1.9193

Topological Polar Surface Area

112.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

OCHRATOXIN B
[(3R)-1-Oxo-3-methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine
(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
OCHRATOXIN B FROM ASPERGILLUS
Ochratoxin B solution
10µg
Alanine,N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-,(-)
L-Phenylalanine,N-((3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-,(R)
N-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]-carbonyl}-L-phenylalanine
N-{[(3R)-8-hydroxy-3-methyl-1-oxo-7-isochromanyl]carbonyl}-3-phenyl-L-alanine
ochratoxin A
Ochratoxin B

MDL Number

MFCD00133680

FAQ

What regulatory guidelines apply to N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9)?

N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9) is subject to various regulatory guidelines, including GHS classification, REACH regulations, FDA, and EPA requirements. It must be handled according to the specific hazard categories it falls under and registered under REACH if used in concentrations above the threshold. Compliance with local and international regulations is essential for its safe handling and use.

Are there alternatives to N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9) in synthesis?

Alternatives to N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9) in synthesis include various analogs and isomers, such as N-{[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-alanine or related isomers. Additionally, common alternative reagents like amino acids or substituted phenylalanine derivatives can be used depending on the specific synthesis requirements.

What is the market or research trend for N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9)?

N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9) is gaining interest in research for its potential applications in pharmaceuticals and materials science. Market trends indicate increasing research focus on its medicinal properties and the development of new synthetic methods. Price trends show fluctuations based on supply and demand dynamics in the pharmaceutical and research sectors.

How should waste containing N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9) be handled?

Waste containing N-{[(3R)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalanine (CAS: 4825-86-9) should be collected in appropriate containers and stored separately. Waste disposal should follow local regulations and include neutralization or incineration as appropriate. Professional waste disposal services should be utilized to ensure compliance with environmental protection measures and to minimize the environmental impact.