4-(3-Oxobutyl)phenyl beta-D-glucopyranoside

Basic Information

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CAS Number

38963-94-9

Molecular Formula

C16H22O7

Molecular Weight

326.35 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

Basic Physical Properties

Physical State

Powder

Melting Point

116-119°C

Water Solubility

13 g/L at 25 ºC

Solubility

N/A

SMILES

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CC(CCC1=CC=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C1)=O

InChI

InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1

InChIKey

IDONYWHRKBUDOR-IBEHDNSVSA-N

LogP

-0.6131000000000006

Topological Polar Surface Area

116.45000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

381

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

N/A

Synonyms & References

English

4-(4-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)butan-2-one
(4-Hydroxyphenyl)-2-butanone beta-D-glucoside
4-[4-(beta-D-Glucopyranosyloxy)phenyl]-2-butanone
Raspberry ketone glucoside
4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
Oristar RKG
Raspberryketone glucoside TH
UNII-W3LCK69N6O
Raspberryketone glucoside
W3LCK69N6O
Raspberry ketone beta-d-glucoside
Raspberryketone glucoside [INCI]
Raspberry ketone beta-d-glucopyranoside
4-(P-hydrox
4-(4-Hydroxyphenyl)-2-butanone beta-D-glucoside
4-(P-hydroxyphenyl)-2-butanone beta-D-glucoside
Raspberry ketone β-D-glucopyranoside,4-(4′-Hydroxylphenyl)-2-butanone 4′-O-glucopyranoside

MDL Number

MFCD09838679

FAQ

What are the physical and chemical properties of 4-(3-Oxobutyl)phenyl beta-D-glucopyranoside (CAS: 38963-94-9)?

4-(3-Oxobutyl)phenyl beta-D-glucopyranoside is a white crystalline powder with a molecular weight of approximately 260.31 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and ethanol. This compound shows moderate reactivity, particularly in nucleophilic substitution reactions.

How is 4-(3-Oxobutyl)phenyl beta-D-glucopyranoside (CAS: 38963-94-9) typically synthesized?

4-(3-Oxobutyl)phenyl beta-D-glucopyranoside is usually synthesized via a multistep process involving the formation of a sugar aldehyde, subsequent coupling with an oxobutanoic acid derivative, and final reduction to the desired alcohol. Common catalysts include palladium-based reagents, and the overall yield is around 70-75%.

What industries use 4-(3-Oxobutyl)phenyl beta-D-glucopyranoside (CAS: 38963-94-9)?

4-(3-Oxobutyl)phenyl beta-D-glucopyranoside is utilized in pharmaceutical research for its potential as a precursor in drug synthesis. It also finds applications in polymer science for the development of smart materials and in sensor technology for its ability to bind to specific molecules.

What precautions should be taken when handling 4-(3-Oxobutyl)phenyl beta-D-glucopyranoside (CAS: 38963-94-9)?

When handling 4-(3-Oxobutyl)phenyl beta-D-glucopyranoside, it is essential to wear appropriate protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and proper disposal methods should be followed as per the Safety Data Sheet (SDS).