(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate

Basic Information

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CAS Number

31752-99-5

Molecular Formula

C21H20O5

Molecular Weight

352.39 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

131.0 to 135.0 deg-C

Boiling Point

584.8°C at 760 mmHg

Flash Point

210.6 °C

Refractive Index

1.5400 (estimate)

Specific Rotation

-89 º (c=1, CHCl3)

SMILES

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C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CO

InChI

InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1

InChIKey

SZJVIFMPKWMGSX-AKHDSKFASA-N

LogP

2.8229000000000006

Topological Polar Surface Area

72.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

519

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

Sensitiveness

thermo-sensitive

Synonyms & References

English

DTXSID00369124
SZJVIFMPKWMGSX-AKHDSKFASA-N
F20541
SCHEMBL12013754
(-)-Corey Lactone 5-(4-Phenylbenzoate)
Q5170469
Corey lactone 4-phenylbenzoate
(-)-Corey lactone, 4-phenylbenzoate alcohol, 99%
AMY25117
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-ylBiphenyl-4-carboxylate
(-)-Corey lactone, 4-PBP
HMS1548C14
CS-11497
[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
C2756
(-)-Corey lactone,4-phenylbenzoate alcohol
(+/-)-Corey Lactone,5-(4-phenylbenzoate)
BIPHENYL-4-CARBOXYLIC ACID 4-HO-METHYL-2-OXO-6H-CYCLOPENTA(B)FURAN-5-YL ESTER
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-Phenylbenzoate
(-)-Corey lactone 4-phenylbenzoate alcohol
Corey lactone, (-)-
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
[1,1'-Biphenyl]-4-carboxylic acid, hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl ester, [3aR-(3aalpha,4alpha,5beta,6aalpha)]-
31752-99-5
A820979
AC-6092
TimTec1_004986
(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-(4-phenylbenzoyloxy)-2H-cyclopenta[b]furan-2-one
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate
4-Biphenylcarboxylic acid, 5-ester with 3,3aalpha,4,5,6,6aalpha-hexahydro-5beta-hydroxy-4alpha-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one, (-)-
CS-0003840

MDL Number

MFCD00078077

Customs Code

29322090

FAQ

What regulatory guidelines apply to (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5)?

The compound (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations for substances and mixtures, and FDA/EPA requirements for the use and disposal of chemicals in products and environmental protection.

Are there alternatives to (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5) in synthesis?

Alternative reagents such as 2-oxo-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate or isomers like (3aS,4R,5S,6aR)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate can be used as alternatives in the synthesis of (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5), depending on the specific application and desired properties.

What is the market or research trend for (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5)?

The market and research trends for (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5) are focused on its applications in pharmaceuticals and materials science, with increasing research into its potential medicinal uses and industrial applications, reflecting a growing demand for innovative chemical compounds with unique properties.

How should waste containing (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5) be handled?

Waste containing (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate (CAS: 31752-99-5) should be collected and disposed of in accordance with local and international waste management regulations. This typically involves careful segregation, neutralization to reduce toxicity, and subsequent incineration or professional waste disposal to ensure environmental safety and compliance with regulatory requirements.