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[ CAS No. 100956-66-9 ] {[proInfo.proName]}

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Chemical Structure| 100956-66-9
Chemical Structure| 100956-66-9
Structure of 100956-66-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 100956-66-9 ]

CAS No. :100956-66-9 MDL No. :N/A
Formula : C15H17NO4S Boiling Point : -
Linear Structure Formula :- InChI Key :JRAYUPSJGCRNDR-UHFFFAOYSA-N
M.W : 307.36 Pubchem ID :276461
Synonyms :

Calculated chemistry of [ 100956-66-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.2
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 81.51
TPSA : 73.01 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.36
Log Po/w (XLOGP3) : 2.75
Log Po/w (WLOGP) : 3.7
Log Po/w (MLOGP) : 1.84
Log Po/w (SILICOS-IT) : 2.08
Consensus Log Po/w : 2.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.57
Solubility : 0.0825 mg/ml ; 0.000269 mol/l
Class : Soluble
Log S (Ali) : -3.94
Solubility : 0.0354 mg/ml ; 0.000115 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.52
Solubility : 0.000928 mg/ml ; 0.00000302 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.55

Safety of [ 100956-66-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 100956-66-9 ]

* 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 [ 100956-66-9 ]

[ 100956-66-9 ] Synthesis Path-Downstream   1~51

  • 2
  • [ 100956-66-9 ]
  • [ 1822-73-7 ]
  • 5,6-dimethoxy-1-tosylindole [ No CAS ]
YieldReaction ConditionsOperation in experiment
54% With bis-[(trifluoroacetoxy)iodo]benzene In dichloromethane at 20℃; for 3h;
  • 3
  • [ 100956-66-9 ]
  • [ 106-96-7 ]
  • [ 533934-31-5 ]
YieldReaction ConditionsOperation in experiment
91% With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2h;
  • 4
  • [ 533934-31-5 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-1-(toluene-4-sulfonyl)-1,2-dihydro-quinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
1: 48% 2: 50% With hydroquinone; platinum(II) chloride In toluene for 17h; Heating;
  • 5
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-1-(toluene-4-sulfonyl)-1,2-dihydro-quinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 91 percent / K2CO3 / dimethylformamide / 2 h / 60 °C 2: 48 percent / PtCl2; hydroquinone / toluene / 17 h / Heating
  • 6
  • [ 100956-66-9 ]
  • C18H18(2)HNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 91 percent / K2CO3 / dimethylformamide / 2 h / 60 °C 2: 40 percent / PtCl2; CD3OD / toluene / 17 h / Heating
  • 7
  • [ 709-09-1 ]
  • [ 100956-66-9 ]
  • 8
  • [ 100956-66-9 ]
  • C20H23NO6S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C 3.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 4.1: dichloromethane / 2 h / 20 °C / Inert atmosphere 5.1: diisobutylaluminium hydride / dichloromethane; toluene / 1 h / 78 °C / Inert atmosphere 6.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 4 h / 0 - 20 °C 7.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere
  • 9
  • [ 100956-66-9 ]
  • [ 1431115-94-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C
  • 10
  • [ 100956-66-9 ]
  • [ 1431116-00-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C 3.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 4.1: dichloromethane / 2 h / 20 °C / Inert atmosphere
  • 11
  • [ 100956-66-9 ]
  • [ 1431116-06-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C 3.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 4.1: dichloromethane / 2 h / 20 °C / Inert atmosphere 5.1: diisobutylaluminium hydride / dichloromethane; toluene / 1 h / 78 °C / Inert atmosphere
  • 12
  • [ 100956-66-9 ]
  • (3RS,4RS)-N-(3,4-epoxy-5-hydroxypentyl)-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C 3.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 4.1: dichloromethane / 2 h / 20 °C / Inert atmosphere 5.1: diisobutylaluminium hydride / dichloromethane; toluene / 1 h / 78 °C / Inert atmosphere 6.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 4 h / 0 - 20 °C
  • 13
  • [ 100956-66-9 ]
  • methyl (2E,4RS,5RS)-4,5-epoxy-7-[N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamido]-2-heptenoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 8 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C 3.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 4.1: dichloromethane / 2 h / 20 °C / Inert atmosphere 5.1: diisobutylaluminium hydride / dichloromethane; toluene / 1 h / 78 °C / Inert atmosphere 6.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 4 h / 0 - 20 °C 7.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 8.1: dichloromethane / 2 h / 20 °C / Inert atmosphere
  • 14
  • [ 100956-66-9 ]
  • methyl (2E)-3-[(4RS,5RS)-4-hydroxy-7,8-dimethoxy-1-tosyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl]propenoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 9 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C 3.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 4.1: dichloromethane / 2 h / 20 °C / Inert atmosphere 5.1: diisobutylaluminium hydride / dichloromethane; toluene / 1 h / 78 °C / Inert atmosphere 6.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 4 h / 0 - 20 °C 7.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere 8.1: dichloromethane / 2 h / 20 °C / Inert atmosphere 9.1: trimethylsilyl trifluoromethanesulfonate / dichloromethane / -30 °C / Inert atmosphere
  • 15
  • [ 100956-66-9 ]
  • C18H21NO5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C 2.1: 9-bora-bicyclo[3.3.1]nonane / tetrahydrofuran / 20 h / 0 - 20 °C 2.2: 0.5 h / 0 °C 3.1: Dess-Martin periodane / dichloromethane / 1 h / 0 °C / Inert atmosphere
  • 16
  • [ 100956-66-9 ]
  • [ 106-95-6 ]
  • [ 1431115-88-6 ]
YieldReaction ConditionsOperation in experiment
100% With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; 4.2.10 N-Allyl-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide (18b) According to the conversion of 9c into 13, 18b was obtained in quantitative yield from 17b as colorless cubic: mp 68-69 °C (AcOEt/n-hexane); IR (neat) 3020, 1647 cm-1; EIMS m/z 347 (M+), 192, 160; HRMS m/z calcd for C18H21O4NS: 347.1190, found 347.1161; 1H NMR (270 MHz, CDCl3) δ 7.52 (d, J=8.2 Hz, 2H), 7.25 (d, J=8.2 Hz, 2H), 6.73 (d, J=8.2 Hz, 1H), 6.56-6.50 (m, 2H), 5.75 (ddt, J=16.5, 10.0, 6.6 Hz, 1H), 5.12-5.02 (m, 2H), 4.09-4.17 (d, J=10.0 Hz, 2H), 3.85 (s, 3H), 3.74 (s, 3H), 2.43 (s, 3H); 13C NMR (68 MHz, CDCl3) δ 148.7 (C), 148.6 (C), 143.3 (C), 135.4 (C), 132.9 (CH), 131.8 (C), 129.3 (CH×2), 127.8 (CH×2), 121.0 (CH), 118.6 (CH2), 112.7 (CH), 110.5 (CH), 55.8 (CH3×2), 53.9 (CH2), 21.4 (CH3). Anal. Calcd for C18H21O4NS: C, 62.22; H, 6.09; N, 4.03. Found: C, 62.04; H, 6.11; N, 3.88.
  • 17
  • [ 100956-66-9 ]
  • [ 34711-50-7 ]
YieldReaction ConditionsOperation in experiment
58% With Oxone; sodium nitrite In acetonitrile at 50℃; for 5h; chemoselective reaction;
  • 18
  • [ 1522-13-0 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-2,2,4-triphenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 19
  • [ 1522-14-1 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-2,2-diphenyl-4-p-tolyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
87% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 20
  • [ 1251471-99-4 ]
  • [ 100956-66-9 ]
  • 4-(2-chlorophenyl)-6,7-dimethoxy-2,2-diphenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
59% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 21
  • [ 1616101-49-5 ]
  • [ 100956-66-9 ]
  • 4-(3-chlorophenyl)-6,7-dimethoxy-2,2-diphenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 22
  • [ 35556-63-9 ]
  • [ 100956-66-9 ]
  • 4-(4-chlorophenyl)-6,7-dimethoxy-2,2-diphenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 23
  • [ 1719-18-2 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-4-phenyl-2,2-dip-tolyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 24
  • [ 100956-66-9 ]
  • [ 408526-05-6 ]
  • 2,2-bis(4-chlorophenyl)-6,7-dimethoxy-4-phenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
43% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 25
  • [ 62698-35-5 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-2-(4-methoxyphenyl)-2,4-diphenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 26
  • [ 62698-34-4 ]
  • [ 100956-66-9 ]
  • C36H30ClNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 27
  • [ 5876-69-7 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-2-methyl-2,4-diphenyl-1-tosyl-1,2-dihydro-quinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 28
  • [ 827599-31-5 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-2-(4-methoxyphenyl)-2-methyl-4-phenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 29
  • 2-(4-bromophenyl)-4-phenylbut-3-yn-2-ol [ No CAS ]
  • [ 100956-66-9 ]
  • 2-(4-bromophenyl)-6,7-dimethoxy-2-methyl-4-phenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
69% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 30
  • [ 100956-66-9 ]
  • 1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-ol [ No CAS ]
  • 6,7-bimethoxy-2-(4-methoxyphenyl)-4-phenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
55% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 31
  • [ 100956-66-9 ]
  • [ 102990-14-7 ]
  • 2-(4-chlorophenyl)-6,7-dimethoxy-4-phenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 32
  • [ 54744-72-8 ]
  • [ 100956-66-9 ]
  • 2-(furan-2-yl)-6,7-dimethoxy-4-phenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
61% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 33
  • [ 100956-66-9 ]
  • C22H16O [ No CAS ]
  • 6′,7′-dimethoxy-4′-phenyl-1′-tosyl-1′H-spiro[fluorene-9,2′-quinoline] [ No CAS ]
YieldReaction ConditionsOperation in experiment
55% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 34
  • [ 100956-66-9 ]
  • C23H18O [ No CAS ]
  • 6′,7′-dimethoxy-4′-(p-tolyl)-1′-tosyl-1′H-spiro[fluorene-9,2′-quinoline] [ No CAS ]
YieldReaction ConditionsOperation in experiment
43% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 35
  • [ 100956-66-9 ]
  • C22H15ClO [ No CAS ]
  • 4′-(4-chlorophenyl)-6′,7′-dimethoxy-1′-tosyl-1′H-spiro-[fluorene-9,2′-quinoline] [ No CAS ]
YieldReaction ConditionsOperation in experiment
59% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 36
  • 9-[(p-methoxy)ethynyl]-9H-fluoren-9-ol [ No CAS ]
  • [ 100956-66-9 ]
  • 2′,3′,8′-trimethoxy-5′-tosyl-5′H-spiro[ fluorene-9,6′-indeno-[2,1-b]indole] [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 1h; Reflux;
  • 37
  • [ 18215-68-4 ]
  • [ 100956-66-9 ]
  • 4-butyl-6,7-dimethoxy-2,2-diphenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
  • (E)-N-(2-(1,1-diphenylhepta-1,3-dien-3-yl)-4,5-dimethoxyphenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
1: 37% 2: 26% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 0.5h; Reflux;
  • 38
  • [ 18215-68-4 ]
  • [ 100956-66-9 ]
  • 4-butyl-6,7-dimethoxy-2,2-diphenyl-1-tosyl-1,2-dihydroquinoline [ No CAS ]
  • 3-(2,2-diphenylvinyl)-5,6-dimethoxy-2-propyl-1-tosyl-1H-indole [ No CAS ]
YieldReaction ConditionsOperation in experiment
1: 43% 2: 42% With iron(III) chloride hexahydrate In 1,2-dichloro-ethane for 6h; Reflux;
  • 39
  • [ 109-65-9 ]
  • [ 100956-66-9 ]
  • N-butyl-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
99% With potassium carbonate In N,N-dimethyl-formamide for 13h;
  • 40
  • [ 100956-66-9 ]
  • N-butyl-4,5-dimethoxy-2-tosylaniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 13 h 2: trifluorormethanesulfonic acid / 1,2-dichloro-ethane / 90 °C / Inert atmosphere
  • 41
  • [ 100956-66-9 ]
  • N,N'-(4,4',5,5'-tetramethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(4-methylbenzenesulfonamide) [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% With nitrosonium tetrafluoroborate; trifluoroacetic acid In dichloromethane at 0℃; for 4h; Sealed tube;
  • 42
  • [ 4083-64-1 ]
  • 4,5-dimethoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate [ No CAS ]
  • [ 100956-66-9 ]
YieldReaction ConditionsOperation in experiment
54% With cesium fluoride In acetonitrile at 100℃; for 14h; General procedure for synthesis of aromatic amines General procedure: A mixture of benzyne precursor (0.1 mmol) and p-toluenesulfonyl isocyanate (0.24 equiv.) and cesium fluoride (0.3 equiv.) in acetonitrile (0.1 M) was heated at 100°C for 14h. The reaction was quenched with H2O and extracted with ethyl acetate (3 x 2 ml). The combined organic extract was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel to give the desired product.
With cesium fluoride In acetonitrile at 100℃; for 14h; Inert atmosphere; General procedure for synthesis of aromatic amines General procedure: A mixture of benzyne precursor (0.1 mmol) and p-toluenesulfonyl isocyanate (0.24 equiv.) and cesium fluoride (0.3 equiv.) in acetonitrile (0.1 M) was heated at 100°C for 14h. The reaction was quenched with H2O and extracted with ethyl acetate (3 x 2 ml). The combined organic extract was dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel to give the desired product.
  • 43
  • [ 1522-13-0 ]
  • [ 100956-66-9 ]
  • 6,7-dimethoxy-2,2,4-triphenyl-8-tosyl-1,2-dihydroquinoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
86% With toluene-4-sulfonic acid In dichloromethane at 25℃; for 12h;
  • 44
  • [ 100956-66-9 ]
  • N-(3,4-dimethoxy-5-(phenylsulfonyl)phenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: [bis(acetoxy)iodo]benzene / 0 °C 2.1: tetrahydrofuran / 1 h / 20 °C 2.2: 18 h / 60 °C
  • 45
  • [ 67-56-1 ]
  • [ 100956-66-9 ]
  • 4-methyl-N-(3,4,4-trimethoxycyclohexa-2,5-dien-1-ylidene)benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
98% With [bis(acetoxy)iodo]benzene at 0℃;
With [bis(acetoxy)iodo]benzene at 20℃; Inert atmosphere;
With [bis(acetoxy)iodo]benzene at 0 - 20℃;
  • 46
  • [ 100956-66-9 ]
  • N-(2-(diphenylphosphoryl)-4,5-dimethoxyphenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: [bis(acetoxy)iodo]benzene / 20 °C / Inert atmosphere 2: caesium carbonate / ethanol; water
  • 47
  • [ 100956-66-9 ]
  • N-(2-(diphenylphosphanyl)-4,5-dimethoxyphenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: [bis(acetoxy)iodo]benzene / 20 °C / Inert atmosphere 2: caesium carbonate / ethanol; water 3: triethylamine; trichlorosilane / toluene / 100 °C / Inert atmosphere
  • 48
  • [ 100956-66-9 ]
  • [ 6315-89-5 ]
YieldReaction ConditionsOperation in experiment
55 %Spectr. With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In water; acetonitrile for 20h; Irradiation;
  • 49
  • [ 1150111-76-4 ]
  • [ 100956-66-9 ]
  • N-((2-bromo-1-(phenylsulfonyl)-1H-indol-3-yl)methyl)-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere;
  • 50
  • [ 100956-66-9 ]
  • N-(3,4-dimethoxyphenyl)-4-methyl-N-(tetrahydrofuran-2-yl)benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: [bis(acetoxy)iodo]benzene / 0 - 20 °C 2: dipotassium peroxodisulfate; tetrabutyl-ammonium chloride; sodium acetate / water / 4 h / 90 °C
  • 51
  • [ 100956-66-9 ]
  • [ 107-21-1 ]
  • N-(4-(2-hydroxyethoxy)-3-methoxyphenyl)-4-methylbenzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
40% With tetra-n-butylammonium tetrafluoroborate In acetonitrile at 50℃; for 5h; Inert atmosphere; Electrochemical reaction;
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