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4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide
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Name

4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide

 EINECS 411-850-0
CAS No. 119018-29-0 Density 1.305 g/cm3
PSA 117.95000 LogP 3.26470
Solubility N/A Melting Point 177-179?C
Formula C16H21N3O4S Boiling Point N/A
Molecular Weight 351.426 Flash Point N/A
Transport Information N/A Appearance white solid
Safety 61 Risk Codes 52/53
Molecular Structure Molecular Structure of 119018-29-0 (4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide) Hazard Symbols 52/53:;
Synonyms

4-(2-(3-ethyl-4-methyl-2-oxo-3-pyrroline-1-carboxamido)-ethyl)-Benzenesulfonyl;3-ethyl-4-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-1-carboxamide;1H-pyrrole-1-carboxamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-;

Article Data 8

4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide Synthetic route

119043-16-2

4-[2-(3-ethyl-4-methyl-2-oxo-3-pyrroline-1-carboxamido)ethyl]benzenesulfonyl chloride

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
With ammonia In water at 80℃; for 1.5h;97.8%
With ammonia In water at 60℃; for 4h;
With ammonia at 70℃; for 3 - 4h;
With ammonium hydroxide In methanol at 20 - 30℃; for 2h; Industrial scale;8.47 kg
With ammonium hydroxide at 20℃; for 16h;

C24H30N4O6S

35303-76-5

4-(2-aminoethyl)benzenesulfonamide

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
With propionic acid In isopropyl alcohol for 7.5h; Reagent/catalyst; Reflux;93.6%

4-{2-[(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl)amino]ethyl}benzene-1-sulfonic acid

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
With ammonia In 1,4-dioxane at 35℃; Temperature;90.28%
With ammonia In 1,4-dioxane at 35℃; Temperature;90.28%

phenyl 3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

35303-76-5

4-(2-aminoethyl)benzenesulfonamide

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
In tetrahydrofuran at 20℃;85%
In isopropyl alcohol for 6h; Reflux;85.5%
766-36-9

3-ethyl-4-methyl-3-pyrrolin-2-one

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 65 percent / toluene / Heating
2: ClSO3H / 10 °C
3: NH3 / H2O / 4 h / 60 °C
View Scheme
Multi-step reaction with 2 steps
1.1: sodium hydride / N,N-dimethyl-formamide / 1.5 h
1.2: 5 h / 20 °C
2.1: tetrahydrofuran / 20 °C
View Scheme
Multi-step reaction with 3 steps
1: toluene / 2 h / 120 - 130 °C / Industrial scale
2: chlorosulfonic acid / dichloromethane / -5 - 30 °C
3: ammonium hydroxide / methanol / 2 h / 20 - 30 °C / Industrial scale
View Scheme
Multi-step reaction with 3 steps
1: toluene / 4 h / Molecular sieve; Reflux; Inert atmosphere
2: chlorosulfonic acid / dichloromethane / 5.5 h / 30 - 35 °C / Inert atmosphere
3: ammonium hydroxide / 16 h / 20 °C
View Scheme
61892-80-6

1-acetyl-3-ethyl-4-methyl-1,5-dihydro-pyrrol-2-one

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 90 percent / Na2CO3; H2O / Heating
2: 65 percent / toluene / Heating
3: ClSO3H / 10 °C
4: NH3 / H2O / 4 h / 60 °C
View Scheme
247098-17-5

ethyl-α-ethylacetoacetate cyanohydrin

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 15 percent / H2; Ac2O / Ra-Ni / 40 °C / 3800 Torr
2: 90 percent / Na2CO3; H2O / Heating
3: 65 percent / toluene / Heating
4: ClSO3H / 10 °C
5: NH3 / H2O / 4 h / 60 °C
View Scheme
607-97-6

ethyl 2-ethyl-3-oxobutanoate

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 80 percent / dimethylformamide / 0 - 5 °C
2: 15 percent / H2; Ac2O / Ra-Ni / 40 °C / 3800 Torr
3: 90 percent / Na2CO3; H2O / Heating
4: 65 percent / toluene / Heating
5: ClSO3H / 10 °C
6: NH3 / H2O / 4 h / 60 °C
View Scheme
247098-18-6

3-ethyl-4-methyl-2-oxo-N-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ClSO3H / 10 °C
2: NH3 / H2O / 4 h / 60 °C
View Scheme
Multi-step reaction with 2 steps
1: chlorosulfonic acid / tetrahydrofuran / 20 °C
2: ammonia / 1,4-dioxane / 35 °C
View Scheme
Multi-step reaction with 2 steps
1: chlorosulfonic acid / dichloromethane / -5 - 30 °C
2: ammonium hydroxide / methanol / 2 h / 20 - 30 °C / Industrial scale
View Scheme
Multi-step reaction with 2 steps
1: chlorosulfonic acid / dichloromethane / 5.5 h / 30 - 35 °C / Inert atmosphere
2: ammonium hydroxide / 16 h / 20 °C
View Scheme

3-ethyl-4-methyl-2-oxo-3-pyrroline-1-carboxamide

119018-29-0

N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide; copper(l) iodide / Petroleum ether / 9 h / 85 °C
2: chlorosulfonic acid / tetrahydrofuran / 20 °C
3: ammonia / 1,4-dioxane / 35 °C
View Scheme
Multi-step reaction with 3 steps
1: copper(l) iodide; sodium hydroxide / Petroleum ether / 9 h / 85 °C
2: chlorosulfonic acid / tetrahydrofuran / 20 °C
3: ammonia / 1,4-dioxane / 35 °C
View Scheme

4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide Specification

The 1H-Pyrrole-1-carboxamide,N-[2-[4-(aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-, with the CAS registry number 119018-29-0 and EINECS registry number 411-850-0, has the systematic name of 3-ethyl-4-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-1-carboxamide. It is a kind of white solid, and belongs to the following product categories: Pharmaceutical intermediates; Glimepiride; Aromatics Compounds; Aromatics; Heterocycles; Sulfur & Selenium Compounds. And the molecular formula of this chemical is C16H21N3O4S. What's more, it is usually used as intermediate for the preparation of Glimepiride.

The physical properties of 1H-Pyrrole-1-carboxamide,N-[2-[4-(aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo- are as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 117.95 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 90.671 cm3; (9)Molar Volume: 269.341 cm3; (10)Polarizability: 35.945×10-24cm3; (11)Surface Tension: 53.232 dyne/cm; (12)Density: 1.305 g/cm3.

You should be cautious while dealing with this chemical. It is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Therefore, you had better avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C(=C(/CN2C(=O)NCCc1ccc(cc1)S(=O)(=O)N)C)CC
(2)InChI: InChI=1/C16H21N3O4S/c1-3-14-11(2)10-19(15(14)20)16(21)18-9-8-12-4-6-13(7-5-12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)(H2,17,22,23)
(3)InChIKey: AJEMFZRCUKJSES-UHFFFAOYAG

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