Alternatived Products of [ 355-93-1 ]
Product Details of [ 355-93-1 ]
CAS No. : 355-93-1
MDL No. : MFCD00039278
Formula :
C9 H8 F8 O2
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
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 ]
1
[ 355-80-6 ]
[ 920-46-7 ]
[ 355-93-1 ]
Reference:
[1]Journal of applied chemistry of the USSR,1984,vol. 57,p. 1463 - 1467
Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation),1984,vol. 57,p. 1577 - 1581
[2]Journal of applied chemistry of the USSR,1985,vol. 58,p. 1244 - 1247
[3]Patent: US2628958,1950,
[4]Journal of applied chemistry of the USSR,1976,vol. 49,p. 1369 - 1371
Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation),1976,vol. 49,p. 1341 - 1345
[5]Chemical Communications,1997,p. 1811 - 1812
2
[ 355-93-1 ]
[ 82473-78-7 ]
Yield Reaction Conditions Operation in experiment
With sodium metabisulfite; hydroquinone
3
[ 355-93-1 ]
[ 60094-85-1 ]
Yield Reaction Conditions Operation in experiment
With sodium disulfite; hydroquinone In ethanol at 78℃; for 18h;
Reference:
[1]Gol'din, G. S.; Averbakh, K. O.; Nekrasova, L. A.
[Journal of applied chemistry of the USSR, 1984, vol. 57, # 7, p. 1463 - 1467][Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1984, vol. 57, # 7, p. 1577 - 1581]
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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation in experiment
76.4%
6
[ 355-93-1 ]
poly(1,1,5-H-partialfluoropentyl methacrylate)
[ No CAS ]
Yield Reaction Conditions Operation in experiment
at -196℃; X-irradiation;
Reference:
[1]Fujimori, Atsuhiro; Araki, Tohru; Nakahara, Hiroo; Ito, Eisuke; Hara, Masahiko; Matsuie, Noritaka; Ishii, Hisao; Ouchi, Yukio; Seki, Kazuhiko
[Bulletin of the Chemical Society of Japan, 2003, vol. 76, # 3, p. 663 - 672]
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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation 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 ]
Yield Reaction Conditions Operation in experiment
Multi-step reaction with 2 steps
1: 82 percent / SOCl2 / CHCl3 / -40 - 20 °C