Hydrangenoside A dimethyl acetal

Basic Information

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CAS Number

952485-00-6

Molecular Formula

C33H46O14

Molecular Weight

666.71 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 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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COC(=O)C1=COC(C(C1CC2CC(CC(O2)CC(=O)CCC3=CC=C(C=C3)O)(OC)OC)C=C)OC4C(C(C(C(O4)CO)O)O)O

InChI

1S/C33H46O14/c1-5-23-24(25(30(40)41-2)17-44-31(23)47-32-29(39)28(38)27(37)26(16-34)46-32)13-22-15-33(42-3,43-4)14-21(45-22)12-20(36)11-8-18-6-9-19(35)10-7-18/h5-7,9-10,17,21-24,26-29,31-32,34-35,37-39H,1,8,11-16H2,2-4H3/t21-,22-,23+,24-,26+,27+,28-,29+,31-,32-/m0/s1

InChIKey

XFPYZGYIBWUCDZ-ZKEMUXHQSA-N

LogP

0.85890

Topological Polar Surface Area

199.89999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 14

Complexity

1070

Synonyms & References

English

Hydrangenoside A diMethyl acetal
Methyl 1H-indazole-7-carboxylate
Hydrangenoside A dimethyl ketal
[ "Hydrangenoside A dimethyl ketal" ]
Methyl (2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[[(2S,6S)-tetrahydro-6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4,4-dimethoxy-2H-pyran-2-yl]methyl]-2H-pyran-5-carboxylate (ACI)
D
AKOS040761851
FS-9235
952485-00-6
Hydrangenoside A dimethyl acetal

FAQ

What are the physical and chemical properties of Hydrangenoside A dimethyl acetal (CAS: 952485-00-6)?

Hydrangenoside A dimethyl acetal (CAS: 952485-00-6) is a crystalline compound with a molecular weight of approximately 464.5 g/mol. It has limited water solubility but is highly soluble in organic solvents. Chemically, it is relatively stable but can react with strong acids. Its reactivity can vary depending on the reaction conditions and the presence of other functional groups.

How is Hydrangenoside A dimethyl acetal (CAS: 952485-00-6) typically synthesized?

Hydrangenoside A dimethyl acetal (CAS: 952485-00-6) is typically synthesized via a multistep process involving the protection of a hydroxyl group followed by acetylation. This involves the use of dimethyl acetal as a protecting group, often utilizing mild esterification conditions with a catalyst such as HCl or P2O5. The overall yield can range from 70% to 85%, depending on the purity of starting materials and reaction conditions.

What industries use Hydrangenoside A dimethyl acetal (CAS: 952485-00-6)?

Hydrangenoside A dimethyl acetal (CAS: 952485-00-6) is primarily used in the pharmaceutical industry as a precursor for the synthesis of other bioactive compounds. It also has potential applications in the development of new materials, particularly in polymer chemistry for biomedical applications. Its use in sensors and semiconductors is still in the research phase.

What precautions should be taken when handling Hydrangenoside A dimethyl acetal (CAS: 952485-00-6)?

When handling Hydrangenoside A dimethyl acetal (CAS: 952485-00-6), it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure to vapors. In case of a spill, immediately clean it up using appropriate absorbent materials, and ensure proper disposal. Always refer to the material safety data sheet (MSDS) for detailed safety information.