1,4-Benzodioxane-6-carboxaldehyde, 99%, Thermo Scientific Chemicals

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Solubility in methanol is almost transparent.

Notes
Store away from air, oxidizing agents and bases. Keep the container tightly closed and place it in a cool, dry and well ventilated condition.

Specifications

Chemical Identifiers

• CAS: 29668-44-8
• Molecular Formula: C9H8O3
• Molecular Weight (g/mol): 164.16
• MDL Number: MFCD00010092
• InChI Key: CWKXDPPQCVWXAG-UHFFFAOYSA-N
• Synonym: 1,4-benzodioxan-6-carboxaldehyde, 1,4-benzodioxan-6-carbaldehyde, 2,3-dihydrobenzo b 1,4 dioxine-6-carbaldehyde, 1,4-benzodioxane-6-carboxaldehyde, 3,4-ethylenedioxybenzaldehyde, 1,4-benzodioxin-6-carboxaldehyde, 2,3-dihydro, 7-formyl-1,4-benzodioxane, 1,4-benzodioxane-6-aldehyde, 2,3-dihydro-1,4-benzodioxin-6-carbaldehyde, 1,4-benzodioxane-6-carbaldehyde
• PubChem CID: 248127
• IUPAC Name: 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
• SMILES: C1COC2=C(O1)C=CC(=C2)C=O

• Melting Point: 48°C to 52°C
• Boiling Point: 104°C to 106°C (15 mmHg)
• Flash Point: >110°C (230°F)
• Quantity: 5 g
• Sensitivity: Air Sensitive
• Formula Weight: 164.16
• Percent Purity: 99%
• Chemical Name or Material: 1,4-Benzodioxane-6-carboxaldehyde

Safety and Handling

Hazard Category	H315-H319-H335
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	249-763-3
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only