(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

Basic Information

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CAS Number

802918-57-6

Molecular Formula

C25H22O10

Molecular Weight

482.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

152-153°C

Solubility

Methanol,DMSO,DMF,Acetontrile

SMILES

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COC1=C(O)C=CC(=C1)C1OC2=CC(=CC=C2OC1CO)[C@H]1OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O

InChI

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1

InChIKey

SEBFKMXJBCUCAI-DBMPWETRSA-N

LogP

2.3627000000000007

Topological Polar Surface Area

155.14000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Safety Information

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Hazard Statement

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

Storage Conditions

2-8℃

Synonyms & References

English

Silybin A,B (mixture)
Silybin

MDL Number

MFCD00872186

FAQ

What are the physical and chemical properties of (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6)?

(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one is a crystalline compound with a molecular weight of approximately 551.25 g/mol. It has a low solubility in water but good solubility in organic solvents like DMSO and ethanol. The compound is relatively stable under normal conditions but can undergo hydrolysis in the presence of strong acids or bases. It is known for its structural complexity and specific reactivity, which makes it useful in various chemical transformations.

How is (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6) typically synthesized?

(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one can be synthesized through multistep organic reactions, typically involving the synthesis of the benzodioxin moiety followed by coupling with a chromenone derivative. Commonly, this process utilizes palladium catalysis for the coupling step, with high selectivity and good yield. The synthesis involves careful control of reaction conditions to ensure high purity and structural integrity of the final product.

What industries use (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6)?

(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one is primarily used in the pharmaceutical industry for its biological activity and potential therapeutic applications. It is also of interest in polymer chemistry for the development of smart materials and sensors due to its reactive functionality. Additionally, its structural complexity makes it valuable in the semiconductor industry for use in organic electronic devices.

What precautions should be taken when handling (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6)?

When handling (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.

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(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one | CAS No. 802918-57-6

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Safety Information

Hazard Statement

Storage Conditions

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6)?

How is (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6) typically synthesized?

What industries use (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6)?

What precautions should be taken when handling (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CAS: 802918-57-6)?

Related Compounds

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