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[ CAS No. 2210-25-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2210-25-5
Chemical Structure| 2210-25-5
Structure of 2210-25-5 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations

Shinyoung Choi ; DOI:

Abstract: The groundbreaking Palladium/norbornene cooperative catalysis, also known as the Catellani reaction, was pioneered by Prof. Marta Catellani in 1997. This transformative reaction integrates the merits of traditional cross-coupling reactions and ortho-functionalization into a single process, offering a remarkably step-economical way to access complex polysubstituted aromatic compounds. Its versatility has proven invaluable to both organic chemists and material scientists alike. Within this dissertation, I explore my profound fascination with leveraging the Catellani reaction for methodology development in azaborine functionalization, and the synthesis of various materials such as dendrons and graphene nanoribbons. While engaging in the synthesis of graphene nanoribbons aimed for potential biomedical applications, my interest in graphene-based nanomaterials for such purposes grew stronger. Consequently, the final chapter of this dissertation offers a comprehensive review of graphene-based nanomaterials within the context of biomedical applications. Details

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Product Details of [ 2210-25-5 ]

CAS No. :2210-25-5 MDL No. :MFCD00041913
Formula : C6H11NO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 113.16 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 2210-25-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 33.48
TPSA : 29.1 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.67
Log Po/w (XLOGP3) : 0.93
Log Po/w (WLOGP) : 0.7
Log Po/w (MLOGP) : 0.76
Log Po/w (SILICOS-IT) : 0.58
Consensus Log Po/w : 0.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.93
Solubility : 13.3 mg/ml ; 0.118 mol/l
Class : Very soluble
Log S (Ali) : -1.13
Solubility : 8.44 mg/ml ; 0.0746 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.09
Solubility : 9.18 mg/ml ; 0.0811 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.12

Safety of [ 2210-25-5 ]

Signal Word:Danger Class:N/A
Precautionary Statements:P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501 UN#:N/A
Hazard Statements:H302-H318 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2210-25-5 ]

* 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 [ 2210-25-5 ]

[ 2210-25-5 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 110-26-9 ]
  • [ 2210-25-5 ]
  • [ 7446-81-3 ]
  • polymer; monomer(s): N-isopropylacrylamide; sodium acrylate; N,N'-methylenebis(acrylamide) [ No CAS ]
  • 2
  • [ 110-26-9 ]
  • [ 107-58-4 ]
  • [ 2210-25-5 ]
  • [ 7446-81-3 ]
  • copolymer, cross-linked with N,N'-methylenebiscrylamide; monomer(s): sodium acrylate, 20 mol %; N-tert-butylacrylamide, 20 mol %; N-isopropylacrylamide, 60 mol %; N,N'-methylenebisacrylamide [ No CAS ]
  • 3
  • [ 110-26-9 ]
  • [ 2210-25-5 ]
  • [ 7446-81-3 ]
  • copolymer, cross-linked with N,N'-methylenebiscrylamide; monomer(s): sodium acrylate, 20 mol %; N-isopropylacrylamide; N,N'-methylenebisacrylamide [ No CAS ]
  • 4
  • [ 110-26-9 ]
  • [ 2210-25-5 ]
  • [ 7446-81-3 ]
  • copolymer, cross-linked with N,N'-methylenebiscrylamide; monomer(s): sodium acrylate, 50 mol %; N-isopropylacrylamide; N,N'-methylenebisacrylamide [ No CAS ]
  • 5
  • [ 110-26-9 ]
  • [ 2210-25-5 ]
  • [ 7446-81-3 ]
  • copolymer, prepared by multiple emulsion polymerization in poly(dimethylsiloxane) oil, glycerol, poly(vinyl alcohol), water as solvents and ammonium persulfate as initiator; monomer(s): N-isopropylacrylamide; sodium acrylate; N,N'-methylenebisacrylamide [ No CAS ]
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