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32863-32-4

Basic Information
CAS No.: 32863-32-4
Name: 4-Benzofurazancarboxaldehyde
Article Data: 8
Molecular Structure:
Molecular Structure of 32863-32-4 (4-Benzofurazancarboxaldehyde)
Formula: C7H4N2O2
Molecular Weight: 148.121
Synonyms: 4-Benzofurazancarboxaldehyde(8CI);2,1,3-Benzoxadiazole-4-aldehyde;4-Benzofurazanylcarboxaldehyde;4-Formyl-2,1,3-benzoxadiazole;
EINECS: 682-565-9
Density: 1.418 g/cm3
Melting Point: 100-102°C
Boiling Point: 277.254 °C at 760 mmHg
Flash Point: 121.479 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 55.99000
LogP: 1.03530
Synthetic route
175609-19-5

4-hydroxymethylbenzofurazan

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

Conditions
ConditionsYield
With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide at 20℃; for 12h; chemoselective reaction;99%
With manganese(IV) oxide In chloroform for 2h; Ambient temperature;92%
With pyridinium chlorochromate In dichloromethane at 0 - 30℃; for 2h;
With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide at 20℃;
29091-40-5

4-methyl-benzo[1,2,5]oxadiazole

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

Conditions
ConditionsYield
With selenium(IV) oxide at 160℃; for 8h;82%
32863-30-2

4-(bromomethyl)benzo[c][1,2,5]oxadiazole

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

Conditions
ConditionsYield
With sodium hydrogencarbonate In dimethyl sulfoxide at 100 - 150℃; Inert atmosphere;71.6%
Multi-step reaction with 2 steps
1: 77 percent / calcium carbonate, water / dioxane / 3 h / Heating
2: 92 percent / manganese dioxide / CHCl3 / 2 h / Ambient temperature
View Scheme
273-09-6

benzofurazan

68-12-2, 33513-42-7

N,N-dimethyl-formamide

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

Conditions
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran at -78℃;59%
4887-83-6

4-methylbenzimidazole

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tetrachloromethane; N-Bromosuccinimide; dibenzoyl peroxide / 80 - 85 °C
2: sodium hydrogencarbonate / dimethyl sulfoxide / 100 - 150 °C / Inert atmosphere
View Scheme
65193-87-5

2-cyanoethylacetoacetate

21731-17-9

methyl 3-aminocrotonate

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

C19H18N4O5

Conditions
ConditionsYield
In isopropyl alcohol Inert atmosphere; Reflux;97%
54527-68-3

2-chloroethyl acetoacetate

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

210579-35-4

2-[1-Benzo[1,2,5]oxadiazol-4-yl-meth-(E)-ylidene]-3-oxo-butyric acid 2-chloro-ethyl ester

Conditions
ConditionsYield
With hydrogenchloride In chloroform for 168h; Ambient temperature;95%
885518-50-3

4-amino-6-bromo-1H-indazole

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

N-(benzo[c][1,2,5]oxadiazol-4-ylmethyl)-6-bromo-1H-indazol-4-amine

Conditions
ConditionsYield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; trifluoroacetic acid In methanol; dichloromethane at 45℃; for 4h;92%
32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

175609-19-5

4-hydroxymethylbenzofurazan

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 0℃;82%
141-97-9

ethyl acetoacetate

32863-32-4

benzo[c][1,2,5]oxadiazole-4-carbaldehyde

72803-02-2

darodipine

Conditions
ConditionsYield
With ammonium carbonate at 70℃;79.5%
With ammonium hydroxide In ethanol at 120℃; for 0.166667h; Hantzsch Dihydropyridine Synthesis; Flow reactor;76%
Downstream Products
175609-19-5
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Specification

The 4-Benzofurazancarboxaldehyde with the CAS number 32863-32-4 is also called 4-Formyl-2,1,3-benzoxadiazole. Both the systematic name and IUPAC name are 2,1,3-benzoxadiazole-4-carbaldehyde. Its molecular formula is C7H4N2O2. The product category is Aldehyde. This chemical is a synthetic intermediate for the production of Isradipine.

The properties of the chemical are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 96; (8)ACD/KOC (pH 7.4): 96; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.99Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 39.33 cm3; (15)Molar Volume: 104.457 cm3; (16)Polarizability: 15.592×10-24cm3; (17)Surface Tension: 66.63 dyne/cm; (18)Enthalpy of Vaporization: 51.581 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc2nonc12
(2)InChI: InChI=1/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
(3)InChIKey: YBBRQAXNTWMMFZ-UHFFFAOYAP