4-Benzofurazancarboxaldehyde Chemical Properties

Melting point:

100-102°C

Boiling point:

277 °C

Density 

1.417

Flash point:

121 °C

storage temp. 

Inert atmosphere,2-8°C

solubility 

Dichloromethane (Slightly), Chloroform (Slightly), Methanol (Slightly)

pka

-1.86±0.45(Predicted)

form 

Solid

color 

Light Brown

InChI

InChI=1S/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H

InChIKey

YBBRQAXNTWMMFZ-UHFFFAOYSA-N

SMILES

N1=C2C=CC=C(C=O)C2=NO1

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HazardClass 

IRRITANT

HS Code 

2934999090

4-Benzofurazancarboxaldehyde Usage And Synthesis

Chemical Properties

Light Brown Solid

Uses

A synthetic intermediate for the production of Isradipine.

Synthesis

General procedure for the synthesis of benzodiazole-4-carbaldehyde from 4-(bromomethyl)benzo[c][1,2,5]oxadiazole: 4-(bromomethyl)benzo[c][1,2,5]oxadiazole (19.7 g, 0.1 mol), dimethylsulfoxide (DMSO, 15 mL), and sodium bicarbonate (10 g, 0.12 mol) were added to the reaction flask sequentially. The reaction mixture was heated to 100-150 °C under nitrogen protection. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently extracted with deionized water and ethyl acetate. The organic layers were combined and washed with saturated sodium chloride solution. The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent to give 10.6 g of a light yellow solid product in 71.6% yield with a melting point of 108-109 °C.

References

[1] Patent: CN102285978, 2016, B. Location in patent: Paragraph 0031
[2] European Journal of Medicinal Chemistry, 1996, vol. 31, # 1, p. 3 - 10

4-Benzofurazancarboxaldehyde(32863-32-4)Related Product Information

• 5-(BROMOMETHYL)-2,1,3-BENZOXADIAZOLE
• Isopropyl 3-aminocrotonate
• 4-Methylbenzofurazan 3-oxid
• Methyl 3-aminocrotonate
• m-Phthalaldehyde
• Terephthalaldehyde
• 1-Nonanal
• 4-METHYL-BENZO(1,2,5)OXADIAZOLE
• o-Phthalaldehyde
• Paraldehyde
• Albendazole
• 2,1,3-Benzothiadiazole
• Benzo[b]thien-2-ylboronic acid
• Formyl radical
• 4-Benzofurazancarboxaldehyde
• DIHYDROXY BENZALDEHYDE
• phenyldimethanal
• BUTTPARK 37\04-04