4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol

Basic Information

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CAS Number

107534-93-0

Molecular Formula

C20H24O4

Molecular Weight

328.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

70-71 ºC

Boiling Point

467.0±40.0 °C at 760 mmHg

Flash Point

236℃

Solubility

Methanol; Ethyl Acetate

SMILES

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C[C@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc3ccc(c(c3)OC)O

InChI

InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1

InChIKey

QDDILOVMGWUNGD-UONOGXRCSA-N

LogP

4.186900000000004

Topological Polar Surface Area

47.92 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

388

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

(+)-Anwulignan
Anwuligan
ANWULIGNAN
4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
Macelignan
Phenol,4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-diMethylbutyl]-2-Methoxy-
Calophyn
austrobailignan 6
HMS2219A18
UNII-8PP3614Z43
4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-phenol
MLS000728494
8PP3614Z43
SMR000445701
Phenol, 4-((2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxy-
(+)-Anwulignan;Anwuligan
Macelignan, >=98% (HPLC)
BDBM90735
cid_10404245
(8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'
(8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)-8,8'-dimethylbutane
HMS22
Anwulignan
Anwuligan, 98%, from Schisandra chinensis
Anwuligan,(+)-Anwulignan,Macelignan

MDL Number

MFCD09953803

Customs Code

29329990

FAQ

What are the physical and chemical properties of 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0)?

4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0) is a crystalline compound with a molecular weight of approximately 351.34 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it exhibits moderate reactivity, particularly towards nucleophilic substitution reactions.

How is 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0) typically synthesized?

4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0) is typically synthesized through a multistep process involving the formation of 2,3-dimethylbutyl and coupling with 2-methoxybenzaldehyde, followed by the introduction of the 1,3-benzodioxole ring. The reaction is carried out under mild conditions using appropriate solvents and catalysts to achieve good yield and selectivity.

What industries use 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0)?

4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0) is used in the pharmaceutical industry for the development of certain drugs. It also finds applications in the polymer industry for synthesizing special materials and in the semiconductor industry for use in electronic components. Additionally, it is explored for its potential in sensor technology.

What precautions should be taken when handling 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0)?

When handling 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol (CAS: 107534-93-0), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spill, the area should be ventilated and the spill cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.