CAS No.119018-29-0,4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	119018-29-0
Name:	4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide
Article Data:	8

Formula:	C₁₆H₂₁N₃O₄S
Molecular Weight:	351.426
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-;
EINECS:	411-850-0
Density:	1.305 g/cm³
Melting Point:	177-179?C
Appearance:	white solid
Hazard Symbols:	52/53:;
Risk Codes:	52/53
Safety:	61
PSA:	117.95000
LogP:	3.26470

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Raw Materials

61892-80-6

247098-17-5

119043-16-2

766-36-9

607-97-6

247098-18-6

Downstream Products

93479-97-1

Total:155 Page 1 of 5 1 2 3 4 5 Next>>

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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