4-Benzofurazancarboxaldehyde supplier

Name
4-Benzofurazancarboxaldehyde
EINECS 682-565-9
CAS No. 32863-32-4
Article Data8
CAS DataBase
Density 1.418 g/cm³
Solubility
Melting Point 100-102°C
Formula C₇H₄N₂O₂
Boiling Point 277.254 °C at 760 mmHg
Molecular Weight 148.121
Flash Point 121.479 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 4-Benzofurazancarboxaldehyde(8CI);2,1,3-Benzoxadiazole-4-aldehyde;4-Benzofurazanylcarboxaldehyde;4-Formyl-2,1,3-benzoxadiazole;
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In isopropyl alcohol Inert atmosphere; Reflux;	97%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With ammonium carbonate at 70℃;	79.5%
With ammonium hydroxide In ethanol at 120℃; for 0.166667h; Hantzsch Dihydropyridine Synthesis; Flow reactor;	76%

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 14205-39-1
methyl 3-aminocrotonate

: dimethyl 1,4-dihydro-2,6-dimethyl-4-(4-benzofurazanyl)-3,5-pyridinedicarboxylate

Conditions

Conditions	Yield
With trifluoroacetic acid In ethanol at 0℃; for 1.5h;	70%

: 106-47-8
4-chloro-aniline

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 1454663-39-8
C13H10ClN3O

Conditions

Conditions	Yield
With sodium cyanoborohydride; acetic acid In methanol at 0℃;	67%

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 32863-21-1
benzofurazan-4-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran at 25℃; for 10h; Reagent/catalyst; Temperature; Solvent;	57%

: 89226-49-3
2-(4-diphenylmethyl-1-piperazinyl)ethyl acetoacetate

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 14205-39-1
methyl 3-aminocrotonate

: 90096-10-9
4-Benzo[1,2,5]oxadiazol-4-yl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-[2-(4-benzhydryl-piperazin-1-yl)-ethyl] ester 5-methyl ester; hydrochloride

Conditions

Conditions	Yield
In isopropyl alcohol Heating;	45%

...Expand

: 10230-68-9
1-nitro-2-propanone

: 21731-17-9
methyl 3-aminocrotonate

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 105567-84-8
4-benzo[1,2,5]oxadiazol-4-yl-2,6-dimethyl-5-nitro-1,4-dihydro-pyridine-3-carboxylic acid methyl ester

Conditions

Conditions	Yield
In isopropyl alcohol for 5h; Heating;	40%

...Expand

: 54127-64-9
2-chloro-5-aminoethylpyridine

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: N-(benzo[c][1,2,5]oxadiazol-4-ylmethyl)-2-(6-chloropyridin-3-yl)ethylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol for 3h; Cooling with ice; Reflux;	30.21%

: 10230-68-9
1-nitro-2-propanone

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 250330-30-4
(1S,2R)-2-(3,5-dinitrophenylcarbonylamino)-2-methoxycarbonyl-1-methylethyl 3-aminocrotonate

A: 651007-66-8
(1S,2R)-2-(3,5-dinitrophenylcarbamoyl)-2-(methoxycarbonyl)ethyl 1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylate

B: 651007-65-7
(1S,2R)-2-(3,5-dinitrophenylcarbamoyl)-2-(methoxycarbonyl)ethyl 1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylate

Conditions

Conditions	Yield
In ethanol at 25 - 80℃; for 18h;	A 27% B 20%

...Expand

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 89226-49-3
2-(4-diphenylmethyl-1-piperazinyl)ethyl acetoacetate

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 97056-86-5
5-Benzo[1,2,5]oxadiazol-4-yl-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid 2-(4-benzhydryl-piperazin-1-yl)-ethyl ester

Conditions

Conditions	Yield
In isopropyl alcohol Heating;	13.5%

...Expand

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 111011-80-4
2-acetonyl-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane

: 146139-64-2
(Z)-4-Benzo[1,2,5]oxadiazol-4-yl-3-(5,5-dimethyl-2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-but-3-en-2-one

Conditions

Conditions	Yield
With piperidine; trifluoroacetic acid In toluene for 8h; Heating;	12%

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 115579-08-3
2-acetonyl-1-oxo-1,3,2-dioxaphosphorinane

: 115578-84-2
(E)-4-Benzo[1,2,5]oxadiazol-4-yl-3-(2-oxo-2λ5-[1,3,2]dioxaphosphinan-2-yl)-but-3-en-2-one

Conditions

Conditions	Yield
piperdinium acetate In benzene Heating;	8%

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 112057-34-8
diallyl acetonylphosphonate

: 112057-49-5, 112057-62-2
{1-[1-Benzo[1,2,5]oxadiazol-4-yl-meth-(Z)-ylidene]-2-oxo-propyl}-phosphonic acid diallyl ester

Conditions

Conditions	Yield
piperdinium acetate In isopropyl alcohol Heating;

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 98759-59-2
(-)-(R)-1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 27 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C View Scheme

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: 98759-58-1
(+)-(S)-1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 20 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C View Scheme

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: (-)-PN 202-791

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 27 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C 3: 89 percent / K2CO3 / dimethylformamide / 24 h / 25 °C View Scheme

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: (+)-PN 202-791

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 20 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C 3: 88.8 percent / K2CO3 / dimethylformamide / 24 h / 25 °C View Scheme

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: (-)-(R)-2-nitrooxyethyl 1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 27 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C 3: 91 percent / K2CO3 / dimethylformamide / 24 h / 25 °C View Scheme

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: (+)-(S)-2-nitrooxyethyl 1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 20 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C 3: 91 percent / K2CO3 / dimethylformamide / 24 h / 25 °C View Scheme

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: (-)-(R,R)-1-methyl-2-nitrooxyethyl 1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 27 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C 3: 30 percent / K2CO3 / dimethylformamide / 168 h / 25 °C View Scheme

: 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde

: (+)-(R,S)-1-methyl-2-nitrooxyethyl 1,4-dihydro-2,6-dimethyl-3-nitro-4-(2,1,3-benzoxadiazol-4-yl)pyridine-5-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 27 percent / ethanol / 18 h / 25 - 80 °C 2: 50 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / methanol / 24 h / 25 °C 3: 30 percent / K2CO3 / dimethylformamide / 168 h / 25 °C View Scheme

4-Benzofurazancarboxaldehyde 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

Product Name

4-Benzofurazancarboxaldehyde

Synthetic route

4-Benzofurazancarboxaldehyde Specification

Related Products

Hot Products