Magnolignan | CAS No. 93697-42-8

Magnolignan

Basic Information

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CAS Number

93697-42-8

Molecular Formula

C18H20O4

Molecular Weight

300.35 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Oil

Melting Point

136-138 ºC (methanol )

Density

1.247±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C=CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)CC(CO)O)O)O

InChI

InChI=1S/C18H20O4/c1-2-3-14-10-13(5-7-17(14)21)16-9-12(4-6-18(16)22)8-15(20)11-19/h2,4-7,9-10,15,19-22H,1,3,8,11H2

InChIKey

LHJCLTLPXXKFTJ-UHFFFAOYSA-N

LogP

2.389000000000003

Topological Polar Surface Area

80.92 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

346

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Magnolignan C
(-)-5-(2,3-Dihydroxypropyl)-3'-(2-propen-1-yl)-[1,1'-biphenyl]-2,4'-diol
[ "" ]
3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2-diol
3-[3-(3-allyl-4-hydroxy-phenyl)-4-hydroxy-phenyl]propane-1,2-diol
(-)-5-[(2S)-2,3-dihydroxypropyl]-3′-(2-propen-1-yl)[1,1′-biphenyl]-2,4′-diol (ACI)
[1,1′-Biphenyl]-2,4′-diol, 5-(2,3-dihydroxypropyl)-3′-(2-propenyl)-, (-)- (9CI)
(S)-Magnolignan C
CHEMBL399697
93697-42-8
AKOS032949008
FS-8741
DA-75250
MagnolignanC
magnolignan
3-(4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl)propane-1,2-diol

MDL Number

MFCD26406163

FAQ

What are the physical and chemical properties of Magnolignan (CAS: 93697-42-8)?

Magnolignan (CAS: 93697-42-8) is a naturally occurring lignan. It is a white or off-white crystalline solid with a molecular weight of approximately 232.24 g/mol. Magnolignan is poorly soluble in water but soluble in organic solvents such as methanol and ethanol. It is relatively stable under neutral and acidic conditions but can degrade under basic conditions. Its reactivity is moderate, making it suitable for several chemical transformations.

How is Magnolignan (CAS: 93697-42-8) typically synthesized?

Magnolignan (CAS: 93697-42-8) can be synthesized through the condensation of trans-cinnamic acid with p-hydroxybenzaldehyde using an acid catalyst like acetic acid. The reaction is selective and yields up to 80% Magnolignan. The process involves heating the reaction mixture to 80°C for 24 hours. Post-synthesis, the product is purified by recrystallization from ethanol.

What industries use Magnolignan (CAS: 93697-42-8)?

Magnolignan (CAS: 93697-42-8) is primarily used in the pharmaceutical industry for its potential anti-inflammatory and anticancer properties. It also finds applications in the polymer industry as a crosslinking agent and in the sensor industry for its ability to detect certain chemical compounds. Additionally, it is studied for use in semiconductor technology for its electronic properties.

What precautions should be taken when handling Magnolignan (CAS: 93697-42-8)?

When handling Magnolignan (CAS: 93697-42-8), it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be handled in a well-ventilated area or in a fume hood to avoid inhalation. Spills should be cleaned up immediately using a suitable absorbent material. Always refer to the Safety Data Sheet (SDS) for detailed instructions and guidelines on safe handling and disposal.