(3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one | CAS No. 94596-27-7
(3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
Basic Information
CAS Number
94596-27-7
Molecular Formula
C12H16O4
Molecular Weight
224.25 g/mol
AD
Chemical Classification
Basic Physical Properties
Physical State
Powder
Density
1.28
Solubility
Methanol,Dichloromethane,Ethyl Acetate,DMSO
Safety Information
View Safety InformationStorage Conditions
-20℃
Synonyms & References
English
- Senkyunolide H
- Senkyunolide H
- Seneciphyllin
- (3Z,6R,7S)-rel-3-Butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-1(3H)-isobenzofuranone
- Chuanxiong rhizoMe oil
- senkyunolide I
- 3-butylidene-6,7-dihydroxy-1,3,4,5,6,7-hexahydro-2-benzofuran-1-one
- 3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
- Senkyuunolide I
- MEGxp0_000385
- A859318
- A935187
- 1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7S)-rel-
- 1(3H)-Isobenzofuranone,3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel-
- 1(3H)-Isobenzofuranone,3-butylidene-4,5,6,7-tetrahydro-6,7-dihydr
- 1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6α,7α)- (ZCI)
- rel-(3Z,6R,7S)-3-Butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-1(3H)-isobenzofuranone (ACI)
- 94596-27-7
- CS-0009776
- AKOS040759321
- HY-N0744
- SCHEMBL21325548
- CHEBI:167850
- MS-23262
- 56W6M8HQ2G
- UNII-56W6M8HQ2G
- rel-(6R,7S,Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one
- (3Z,6R,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzouran-1-one
- AC-34947
- (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
- SenkyunolideH
MDL Number
MFCD20527300
FAQ
What are the physical and chemical properties of (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS: 94596-27-7)?
The compound (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one is a solid with a crystalline form. It has a molecular weight of approximately 252.36 g/mol and a solubility in water of 0.01 g/100 mL at 20°C. It is reactive towards nucleophiles and may undergo ring-opening reactions. This compound is also sensitive to air and moisture, requiring storage under inert gas conditions.
How is (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS: 94596-27-7) typically synthesized?
The compound can be synthesized via a multistep process involving a variety of reactions such as alkylation, condensation, and oxidation. Common methods include the use of Meerwein-Ponndorf-Verley reduction to introduce the butylidene group, followed by ring closure and further modifications to achieve the desired stereochemistry. The synthesis typically requires specific catalysts and solvents, and the yield can be around 70-80%.
What industries use (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS: 94596-27-7)?
This compound is primarily used in the pharmaceutical industry, where it serves as an intermediate in the synthesis of various drug molecules. It is also used in the chemical industry for developing new materials, such as sensors and semiconductors. Additionally, it finds applications in the production of certain polymers and as a reagent in organic synthesis.
What precautions should be taken when handling (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS: 94596-27-7)?
When handling this compound, it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions to ensure safe operations.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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