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[ CAS No. 5883-17-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5883-17-0
Chemical Structure| 5883-17-0
Structure of 5883-17-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 5883-17-0 ]

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Alternatived Products of [ 5883-17-0 ]

Product Details of [ 5883-17-0 ]

CAS No. :5883-17-0 MDL No. :MFCD00048514
Formula : C5H9NO Boiling Point : -
Linear Structure Formula :- InChI Key :SWPMNMYLORDLJE-UHFFFAOYSA-N
M.W : 99.13 Pubchem ID :9793705
Synonyms :

Calculated chemistry of [ 5883-17-0 ]

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.4
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 28.68
TPSA : 29.1 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.55 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.46
Log Po/w (XLOGP3) : 0.5
Log Po/w (WLOGP) : 0.31
Log Po/w (MLOGP) : 0.38
Log Po/w (SILICOS-IT) : 0.34
Consensus Log Po/w : 0.6

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.57
Solubility : 26.6 mg/ml ; 0.268 mol/l
Class : Very soluble
Log S (Ali) : -0.68
Solubility : 20.7 mg/ml ; 0.208 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.04
Solubility : 9.08 mg/ml ; 0.0916 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.09

Safety of [ 5883-17-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 5883-17-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 5883-17-0 ]

[ 5883-17-0 ] Synthesis Path-Downstream   1~44

  • 5
  • [ 5883-17-0 ]
  • [ 27124-34-1 ]
  • [ 27124-35-2 ]
  • 6
  • [ 5883-17-0 ]
  • [ 32582-59-5 ]
  • 7
  • [ 5883-17-0 ]
  • [ 20591-35-9 ]
  • 9
  • [ 5883-17-0 ]
  • [ 122-52-1 ]
  • [ 7749-96-4 ]
  • 10
  • [ 53948-58-6 ]
  • [ 5883-17-0 ]
  • 2-Acetyl-4-[3-oxo-3H-isobenzofuran-(1Z)-ylidene]-pentanoic acid ethylamide [ No CAS ]
  • C17H19NO4 [ No CAS ]
  • (1R,10S,11R)-1,10-Dimethyl-2,9-dioxo-13-oxa-tricyclo[8.2.1.03,8]trideca-3,5,7-triene-11-carboxylic acid ethylamide [ No CAS ]
  • 11
  • [ 5883-17-0 ]
  • N-(1,1-dimethyl-3-dimethylaminopropyl)methacrylamide [ No CAS ]
  • (2-ethylcarbamoyl-ethyl)-dimethyl-[3-methyl-3-(2-methyl-acryloylamino)-butyl]-ammonium; chloride [ No CAS ]
  • 12
  • [ 7647-01-0 ]
  • [ 7732-18-5 ]
  • [ 75-04-7 ]
  • [ 74-86-2 ]
  • nickel carbonyl [ No CAS ]
  • [ 5883-17-0 ]
  • 13
  • [ 60-35-5 ]
  • [ 7732-18-5 ]
  • [ 64-19-7 ]
  • [ 74-86-2 ]
  • nickel carbonyl [ No CAS ]
  • [ 5883-17-0 ]
  • 14
  • [ 75-04-7 ]
  • [ 74-86-2 ]
  • [ 71-43-2 ]
  • carbon monoxide [ No CAS ]
  • nickel (II)-iodide/silica gel [ No CAS ]
  • [ 5883-17-0 ]
  • 15
  • [ 75-04-7 ]
  • [ 74-86-2 ]
  • [ 71-43-2 ]
  • CO [ No CAS ]
  • NiI2-kieselguhr [ No CAS ]
  • [ 5883-17-0 ]
  • 16
  • [ 7647-01-0 ]
  • [ 75-04-7 ]
  • [ 108-88-3 ]
  • [ 74-86-2 ]
  • tetracarbonyl nickel [ No CAS ]
  • [ 5883-17-0 ]
  • 19
  • [ 57281-78-4 ]
  • [ 5883-17-0 ]
  • 3-(N-glycyl-L-cysteinyl)-N-ethylpropionamide [ No CAS ]
  • 20
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide); monomer(s): N-ethylacrylamide [ No CAS ]
  • 21
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 10 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) and 1 wt percent 2,2\-azobisisobutyronitrile; monomer(s): N-ethylacrylamide [ No CAS ]
  • 22
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 1 wt percent 2,2\-azobisisobutyronitrile, 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) at 352 bar; monomer(s): N-ethylacrylamide, 10 percent w/v [ No CAS ]
  • 23
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 2 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) and 1 wt percent 2,2\-azobisisobutyronitrile; monomer(s): N-ethylacrylamide [ No CAS ]
  • 24
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 0.5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) and 2,2\-azobisisobutyronitrile; monomer(s): N-ethylacrylamide [ No CAS ]
  • 25
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 0.2 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) and 1 wt percent 2,2\-azobisisobutyronitrile; monomer(s): N-ethylacrylamide [ No CAS ]
  • 26
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), polymerization product in presence of 10 wt percent poly(3-O-methacryloyl-1,2:5,6-di-O-isopropylidene-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 27
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 0.5 wt percent 2,2\-azobisisobutyronitrile and 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 28
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 2.0 wt percent 2,2\-azobisisobutyronitrile, 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 29
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 1 wt percent 2,2\-azobisisobutyronitrile, 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate); monomer(s): N-ethylacrylamide, 20 percent w/v [ No CAS ]
  • 30
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 1 wt percent 2,2\-azobisisobutyronitrile, 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate); monomer(s): N-ethylacrylamide, 30 percent w/v [ No CAS ]
  • 31
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), polymerization product prepared without surfactant; monomer(s): N-ethylacrylamide [ No CAS ]
  • 32
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 1 wt percent 2,2\-azobisisobutyronitrile, 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) at pressure 276 bar; monomer(s): N-ethylacrylamide [ No CAS ]
  • 33
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of emulsion polymerization in presence of 1 wt percent 2,2\-azobisisobutyronitrile, 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) at pressure 428 bar; monomer(s): N-ethylacrylamide [ No CAS ]
  • 34
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of polymerization in presence of 10 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) and bis[2-(perfluorooctyl)ethyl] 4,4-azobis(4-cyanopentanoate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 35
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of polymerization in presence of 5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) and bis[2-(perfluorooctyl)ethyl] 4,4-azobis(4-cyanopentanoate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 36
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of polymerization in presence of 2 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate) and bis[2-(perfluorooctyl)ethyl] 4,4-azobis(4-cyanopentanoate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 37
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of polymerization in presence of 0.5 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate), bis[2-(perfluorooctyl)ethyl] 4,4-azobis(4-cyanopentanoate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 38
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of polymerization in presence of 0.2 wt percent poly(3-O-methacryloyl-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate), bis[2-(perfluorooctyl)ethyl] 4,4-azobis(4-cyanopentanoate); monomer(s): N-ethylacrylamide [ No CAS ]
  • 39
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), prepared in presence of poly(3-O-methacryloyl-1,2:5,6-di-O-isopropylidene-D-glucofuranose)-b-poly(1,1-dihydroperfluorooctyl methacrylate), bis[2-(perfluorooctyl)ethyl] 4,4-azobis-4-cyanopentanoate; monomer(s): N-ethylacrylamide [ No CAS ]
  • 40
  • [ 5883-17-0 ]
  • poly(N-ethylacrylamide), product of polymerization in presence of bis[2-(perfluorooctyl)ethyl] 4,4-azobis(4-cyanopentanoate) and in absence of surfactant; monomer(s): N-ethylacrylamide [ No CAS ]
  • 41
  • [ 5883-17-0 ]
  • [ 1117-64-2 ]
  • 42
  • [ 5883-17-0 ]
  • [ 946826-19-3 ]
  • 43
  • [ 5883-17-0 ]
  • [ 1001346-54-8 ]
  • 44
  • [ 5883-17-0 ]
  • [ 1003-03-8 ]
  • [ 1001346-55-9 ]
YieldReaction ConditionsOperation in experiment
99% In methanol; at 140℃; for 0.5h;Microwave irradiation; General procedure: A solution of N-methylacrylamide (2) (1.88 g, 22.0 mmol) and cyclopentylamine (1.98 mL, 20.0 mmol) in MeOH (14 mL) was heated under microwave irradiation to 140 C for 30 min (Biotage Initiator). The volatiles were removed under reduced pressure, the residue diluted with MeOH (20 mL) and purified by strong cation exchange filtration (50 g SCX-2 cartridge) washing with MeOH (100 mL) and eluting with 7 M methanolic NH3 (100 mL). The eluted product was concentrated under reduced pressure to afford the title compound 3 as a brown oil (3.09 g, 18.2 mmol, 91%). This was used directly with no further purification.
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