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1-(2-Aminocarbonylbenzofuran-5-yl)piperazine

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Name

1-(2-Aminocarbonylbenzofuran-5-yl)piperazine

EINECS 1592732-453-0
CAS No. 183288-46-2 Density 1.269 g/cm3
PSA 72.49000 LogP 2.21930
Solubility N/A Melting Point N/A
Formula C13H15N3O2 Boiling Point 505.319 °C at 760 mmHg
Molecular Weight 245.281 Flash Point 259.408 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 183288-46-2 (1-(2-Aminocarbonylbenzofuran-5-yl)piperazine) Hazard Symbols N/A
Synonyms

5-(1-Piperazinyl)benzofuran-2-carboxamide;5-Piperazin-1-yl-1-benzofuran-2-carboxamide;

Article Data 13

1-(2-Aminocarbonylbenzofuran-5-yl)piperazine Synthetic route

5-(4-acetylpiperazin-1-yl)benzofuran-2-carboxylic acid ethyl ester hydrochloride

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With ammonium hydroxide at 20℃; for 10h;97%
110-85-0

piperazine

5-fluorobenzofuran-2-carboxamide

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 120℃; for 6h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere;93.9%

5-(1-piperazinyl)benzofuran-2-carboxylic acid ethyl ester hydrochloride

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With ammonium hydroxide In 1-methyl-pyrrolidin-2-one at 40 - 50℃; for 21h; Large scale;80%

5-(4-acetylpiperazin-1-yl)benzofuran-2-carboxamide

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
Stage #1: 5-(4-acetylpiperazin-1-yl)benzofuran-2-carboxamide With hydrogenchloride In ethanol for 8h; Reflux;
Stage #2: With ammonium hydroxide In ethanol at 20℃; for 1h;
78%
183288-44-0

tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With hydrogenchloride In water at 35 - 50℃; for 1h; Large scale;77.86%
In methanol hydrochloride

methyl 5-(1-piperazinyl)-benzofuran-2-carboxylate

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With ammonia In methanol at 25 - 30℃;73.1%
110-85-0

piperazine

35351-20-3

5-chlorobenzofuran-2-carboxamide

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With copper dichloride In dimethyl sulfoxide at 150℃; Reagent/catalyst; Solvent;72%
110-85-0

piperazine

35351-21-4

5-bromo-2-carboxamidobenzo[b]furan

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With copper(II) cyanide In N,N-dimethyl-formamide at 150℃; Reagent/catalyst; Solvent;70%
110-85-0

piperazine

t-OBu

t-OBu

35351-21-4

5-bromo-2-carboxamidobenzo[b]furan

1-(N,N-dimethylamino)-1'-(dicyclohexylphosphino)biphenyl

7440-44-0

pyrographite

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With hydrogenchloride; Pd(dba)2 In water; ethyl acetate; toluene
P(t-Bu)3

P(t-Bu)3

t-OBu

t-OBu

35351-21-4

5-bromo-2-carboxamidobenzo[b]furan

57260-71-6

1-t-Butoxycarbonylpiperazine

A

183288-44-0

tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate

B

183288-46-2

5-(1-piperazinyl)benzofuran-2-carboxamide

Conditions
ConditionsYield
With hydrogenchloride; Pd(dba)2 In diethylene glycol dimethyl ether; water

1-(2-Aminocarbonylbenzofuran-5-yl)piperazine Specification

The 2-Benzofurancarboxamide, 5-(1-piperazinyl)-, with the CAS registry number 183288-46-2, is also known as 5-(1-Piperazinyl)benzofuran-2-carboxamide. This chemical's molecular formula is C13H15N3O2 and molecular weight is 245.28. What's more, its systematic name is 5-piperazin-1-yl-1-benzofuran-2-carboxamide.

Physical properties of 2-Benzofurancarboxamide, 5-(1-piperazinyl)- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.5 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 68.878 cm3; (15)Molar Volume: 193.346 cm3; (16)Polarizability: 27.305×10-24cm3; (17)Surface Tension: 53.254 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 259.408 °C; (20)Enthalpy of Vaporization: 77.497 kJ/mol; (21)Boiling Point: 505.319 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2oc1ccc(cc1c2)N3CCNCC3)N
(2)Std. InChI: InChI=1S/C13H15N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-8,15H,3-6H2,(H2,14,17)
(3)Std. InChIKey: LLRGOAFFRRUFBM-UHFFFAOYSA-N

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