1,4-BENZODIOXAN-6-CARBOXALDEHYDE
- CAS NO.:29668-44-8
- Empirical Formula: C9H8O3
- Molecular Weight: 164.16
- MDL number: MFCD00010092
- EINECS: 249-763-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-04 17:34:37
What is 1,4-BENZODIOXAN-6-CARBOXALDEHYDE?
Description
1,4-benodioxan-6-carboxaldehyde is a kind of aldehyde derivative. It is a useful intermediate in organic synthesis. It can be used as the building bock of the manufacturing tetrahydroisoquinoliones and benzofuran analog (a inhibitor of cAMP-specific phosphodiesterase type IV). It can also be used as an intermediate during the manufacturing of some novel Dopamine D3 and D4 receptor antagonists. It can also be used as the initial material for the manufacturing of some novel chalcone analogues that exhibit strong anti-tumor activity and low toxic side effects.
Chemical properties
Yellowish-beige powder and chunks
The Uses of 1,4-BENZODIOXAN-6-CARBOXALDEHYDE
1,4-Benzodioxan-6-carboxaldehyde finds its uses as building block in the synthesis of tetrahydroisoquinolinones, in the preparation of benzofuran analog, a potential inhibitor of CAMP-specific phosphodiesterase type IV, in the synthesis of (5Z)-5-(2,3-dihydro-1,4-benzodioxan-6-ylmethylene)-1-methyl-2-thioxoimidazolidin-4-one. It was screened as a fragment for inhibitors of PDEA using enthalpy arrays and X-ray crystallography. 1,4-Benzodioxane-6-carboxaldehyde have also been used as an intermediate in the synthesis of a new class of Dopamine D3 and D4 receptor antagonists.
The Uses of 1,4-BENZODIOXAN-6-CARBOXALDEHYDE
1,4-Benzodioxane-6-carboxaldehyde was screened as a fragment for inhibitors of PDEA using enthalpy arrays and X-ray crystallography. 1,4-Benzodioxane-6-carboxaldehyde have also been used as an interme diate in the synthesis of a new class of Dopamine D3 and D4 receptor antagonists.
Definition
ChEBI: 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is a heteroarenecarbaldehyde in which a formyl group is located at position 6 of 2,3-dihydro-1,4-benzodioxine. It is a heteroarenecarbaldehyde and a benzodioxine.
References
https://www.alfa.com/zh-cn/catalog/A18696/
Jiang, Ji Miao, et al. "Study on the synthesis and anti-tumor activity of novel chalcone analogues." Chemical Research & Application 22.11(2010): 1405-1408.
Properties of 1,4-BENZODIOXAN-6-CARBOXALDEHYDE
Melting point: | 50-52 °C(lit.) |
Boiling point: | 105 °C15 mm Hg(lit.) |
Density | 1.2132 (rough estimate) |
refractive index | 1.5380 (estimate) |
Flash point: | >230 °F |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | Solubility in methanol is almost transparent. |
form | Chunks and Powder |
color | Yellow-beige |
CAS DataBase Reference | 29668-44-8(CAS DataBase Reference) |
Safety information for 1,4-BENZODIOXAN-6-CARBOXALDEHYDE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1,4-BENZODIOXAN-6-CARBOXALDEHYDE
InChIKey | CWKXDPPQCVWXAG-UHFFFAOYSA-N |
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