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[ CAS No. 355-93-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 355-93-1
Chemical Structure| 355-93-1
Structure of 355-93-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 355-93-1 ]

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Product Details of [ 355-93-1 ]

CAS No. :355-93-1 MDL No. :MFCD00039278
Formula : C9H8F8O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZNJXRXXJPIFFAO-UHFFFAOYSA-N
M.W : 300.15 Pubchem ID :67739
Synonyms :

Calculated chemistry of [ 355-93-1 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 7
Num. H-bond acceptors : 10.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.71
TPSA : 26.3 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.38
Log Po/w (XLOGP3) : 3.95
Log Po/w (WLOGP) : 6.64
Log Po/w (MLOGP) : 3.32
Log Po/w (SILICOS-IT) : 3.99
Consensus Log Po/w : 4.05

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.73
Solubility : 0.0562 mg/ml ; 0.000187 mol/l
Class : Soluble
Log S (Ali) : -4.2
Solubility : 0.0188 mg/ml ; 0.0000627 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.23
Solubility : 0.179 mg/ml ; 0.000596 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.6

Safety of [ 355-93-1 ]

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

Application In Synthesis of [ 355-93-1 ]

* 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 [ 355-93-1 ]

[ 355-93-1 ] Synthesis Path-Downstream   1~27

  • 2
  • [ 355-93-1 ]
  • [ 82473-78-7 ]
YieldReaction ConditionsOperation in experiment
With sodium metabisulfite; hydroquinone
  • 3
  • [ 355-93-1 ]
  • [ 60094-85-1 ]
YieldReaction ConditionsOperation in experiment
With sodium disulfite; hydroquinone In ethanol at 78℃; for 18h;
  • 4
  • [ 79-41-4 ]
  • [ 355-93-1 ]
  • 6-[N-(4,6-dimethyl-2-pyrimidyl)-N-(2-chlorophenyl)amino]hexyl methacrylate [ No CAS ]
  • 6-[N-(4,6-dimethyl-2-pyrimidyl)-N-(2-chlorophenyl)amino]hexyl methacrylate, methacrylaic acid, octafluoroamyl methacrylate; copolymer of [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With dibenzoyl peroxide In N,N-dimethyl acetamide at 60℃; for 72h;
  • 5
  • [ 6900-35-2 ]
  • [ 254756-55-3 ]
  • [ 355-93-1 ]
YieldReaction ConditionsOperation in experiment
76.4%
  • 6
  • [ 355-93-1 ]
  • poly(1,1,5-H-partialfluoropentyl methacrylate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
at -196℃; X-irradiation;
  • 7
  • [ 868-77-9 ]
  • [ 760-93-0 ]
  • [ 355-93-1 ]
  • Polymer, Mw=36900, Mn=16600, PDI=2.2, refr. indices=1.4643 (633 nm), solution radical copolymerization of 1H,1H,5H-octafluoropentyl methacrylate and 2-hydroxyethyl methacrylate with a nominal ratio of 35:65, functionalized with methacrylic anhydride [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran at 60℃; for 15h; Stage #2: methacryloyl anhydride With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 4h;
  • 8
  • [ 868-77-9 ]
  • [ 760-93-0 ]
  • [ 355-93-1 ]
  • Polymer, Mw=71700, Mn=27600, PDI=2.6, refr. indices=1.4414 (633 nm), solution radical copolymerization of 1H,1H,5H-octafluoropentyl methacrylate and 2-hydroxyethyl methacrylate with a nominal ratio of 50:50, functionalized with methacrylic anhydride [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran at 60℃; for 15h; Stage #2: methacryloyl anhydride With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 4h;
  • 9
  • [ 868-77-9 ]
  • [ 760-93-0 ]
  • [ 355-93-1 ]
  • Polymer, Mw=51900, Mn=21400, PDI=2.4, refr. indices=1.4329 (633 nm), solution radical copolymerization of 1H,1H,5H-octafluoropentyl methacrylate and 2-hydroxyethyl methacrylate with a nominal ratio of 50:50, functionalized with methacrylic anhydride [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran at 60℃; for 15h; Stage #2: methacryloyl anhydride With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 4h;
  • 10
  • [ 355-93-1 ]
  • [ 80-62-6 ]
  • polymer; monomer(s): 1,1,5-trihydroperfluoroamyl methacrylate; methyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dilauryl peroxide at 65℃;
With dilauryl peroxide at 65℃;
  • 11
  • [ 355-93-1 ]
  • [ 80-62-6 ]
  • polymer; monomer(s): 1,1,5-trihydroperfluoroamyl methacrylate, 9.1 mol percent; methyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dilauryl peroxide at 65℃;
  • 12
  • [ 355-93-1 ]
  • [ 80-62-6 ]
  • polymer; monomer(s): 1,1,5-trihydroperfluoroamyl methacrylate, 16.6 mol percent; methyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dilauryl peroxide at 65℃;
  • 13
  • [ 355-93-1 ]
  • [ 80-62-6 ]
  • polymer; monomer(s): 1,1,5-trihydroperfluoroamyl methacrylate, 33.3 mol percent; methyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dilauryl peroxide at 65℃;
  • 14
  • [ 355-93-1 ]
  • [ 80-62-6 ]
  • polymer; monomer(s): 1,1,5-trihydroperfluoroamyl methacrylate, 50.0 mol percent; methyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dilauryl peroxide at 65℃;
  • 15
  • [ 355-93-1 ]
  • [ 80-62-6 ]
  • polymer; monomer(s): 1,1,5-trihydroperfluoroamyl methacrylate, 66.7 mol percent; methyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dilauryl peroxide at 65℃;
  • 16
  • [ 355-93-1 ]
  • [ 80-62-6 ]
  • polymer; monomer(s): 1,1,5-trihydroperfluoroamyl methacrylate, 83.3 mol percent; methyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dilauryl peroxide at 65℃;
  • 17
  • 1-vinyl-1,2,4-triazole [ No CAS ]
  • [ 355-93-1 ]
  • polymer, nitrogen content 4.6% wt; monomer(s): 1-vinyl-1,2,4-triazole; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 60℃; for 8h;
  • 18
  • 1-vinyl-1,2,4-triazole [ No CAS ]
  • [ 355-93-1 ]
  • polymer, nitrogen content 6.0% wt; monomer(s): 1-vinyl-1,2,4-triazole; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 60℃; for 8h;
  • 19
  • 1-vinyl-1,2,4-triazole [ No CAS ]
  • [ 355-93-1 ]
  • polymer, nitrogen content 8.7% wt; monomer(s): 1-vinyl-1,2,4-triazole; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 60℃; for 8h;
  • 20
  • 1-vinyl-1,2,4-triazole [ No CAS ]
  • [ 355-93-1 ]
  • polymer, nitrogen content 22.1% wt; monomer(s): 1-vinyl-1,2,4-triazole; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
51% With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 60℃; for 8h;
  • 21
  • [ 355-93-1 ]
  • [ 18755-47-0 ]
  • polymer, nitrogen content 9.3% wt; monomer(s): 5-vinyltetrazole; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
88% With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 60℃; for 8h;
  • 22
  • [ 355-93-1 ]
  • [ 18755-47-0 ]
  • polymer, nitrogen content 25.6% wt; monomer(s): 5-vinyltetrazole; 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 60℃; for 8h;
  • 23
  • [ 355-93-1 ]
  • [ 86229-45-0 ]
  • copolymer, cf = 50 mole % fraction of fluorinated tails; monomer(s) = 4-(N-methacryloylamino)phenyl methacrylate, 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 80℃;
  • 24
  • [ 355-93-1 ]
  • [ 86229-45-0 ]
  • copolymer, cf = 70 mole % fraction of fluorinated tails; monomer(s) = 4-(N-methacryloylamino)phenyl methacrylate, 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 80℃;
  • 25
  • [ 355-93-1 ]
  • [ 86229-45-0 ]
  • copolymer, cf = 10 mole % fraction of fluorinated tails; monomer(s) = 4-(N-methacryloylamino)phenyl methacrylate, 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 80℃;
  • 26
  • [ 355-93-1 ]
  • [ 86229-45-0 ]
  • copolymer, cf = 41.2 mole % fraction of fluorinated tails; monomer(s) = 4-(N-methacryloylamino)phenyl methacrylate, 2,2,3,3,4,4,5,5-octafluoropentyl methacrylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 2,2'-azobis(isobutyronitrile) In N,N-dimethyl-formamide at 80℃;
  • 27
  • 2,2,3,3,4,4,5,5-octafluoro-pentan-1-ol; compound with triethyl-amine [ No CAS ]
  • [ 355-93-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 82 percent / SOCl2 / CHCl3 / -40 - 20 °C
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