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[ CAS No. 19017-52-8 ] {[proInfo.proName]}

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Chemical Structure| 19017-52-8
Chemical Structure| 19017-52-8
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Product Details of [ 19017-52-8 ]

CAS No. :19017-52-8 MDL No. :MFCD00152035
Formula : C11H10ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :OAIODEZFMSXHFQ-UHFFFAOYSA-N
M.W : 223.66 Pubchem ID :2068157
Synonyms :

Calculated chemistry of [ 19017-52-8 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.18
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 59.82
TPSA : 53.09 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.45
Log Po/w (XLOGP3) : 2.54
Log Po/w (WLOGP) : 2.76
Log Po/w (MLOGP) : 1.95
Log Po/w (SILICOS-IT) : 3.32
Consensus Log Po/w : 2.4

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -3.14
Solubility : 0.162 mg/ml ; 0.000726 mol/l
Class : Soluble
Log S (Ali) : -3.3
Solubility : 0.112 mg/ml ; 0.000499 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.07
Solubility : 0.0189 mg/ml ; 0.0000845 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.8

Safety of [ 19017-52-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 19017-52-8 ]

* 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 [ 19017-52-8 ]

[ 19017-52-8 ] Synthesis Path-Downstream   1~49

  • 1
  • 4-(4-chloro-phenylhydrazono)-valeric acid ethyl ester [ No CAS ]
  • [ 19017-52-8 ]
YieldReaction ConditionsOperation in experiment
With zinc(II) chloride Erwaermen des Reaktionsprodukts mit methanol. KOH;
  • 2
  • [ 64-17-5 ]
  • [ 19017-52-8 ]
  • [ 3446-72-8 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid for 1h; Heating; Yield given;
  • 3
  • [ 57335-86-1 ]
  • [ 33577-16-1 ]
  • [ 19017-52-8 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; N-benzyl-trimethylammonium hydroxide 1.) THF, reflux, 10 h, 2.) ethanol, room temp., 1 h; Multistep reaction;
  • 4
  • [ 504-24-5 ]
  • [ 19017-52-8 ]
  • 2-(5-chloro-2-methyl-1<i>H</i>-indol-3-yl)-<i>N</i>-pyridin-4-yl-acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
63% With 2-chloro-1-methylpyrimidinium iodide; triethylamine In dichloromethane for 2h; Heating;
YieldReaction ConditionsOperation in experiment
64% R.84 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid Reference Example 84 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid Reaction was conducted in the same manner as Reference Example 81, except that 4-chlorophenylhydrazine hydrochloride was used instead of 4-trifluoromethoxyphenylhydrazine hydrochloride, to obtain the title compound (64% yield). The NMR data for the obtained compound were as follows. NMR: (300 MHz, DMSO-d6) δ: 2.31 (3H,s), 3.55 (2H,s), 6.98 (1H,dd), 7.26 (1H,d), 7.39 (1H,d), 11.05 (1H,s), 11.8-12.2 (1H,m)
4-(2-Methyl-1,3-dioxolanyl-2)-6-chlor-2-oxo-1,2,3,4-Tetrahydro-chinolin. konz. HCl, (Siedetemp., 15min);
(5-Chlor-2-methyl-1-acetyl-indolyl-3)-essigsaeure-ethylester (IV), NaOH, sd. wss. Me.;
  • 7
  • [ 1073-70-7 ]
  • [ 19017-52-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 1.) CH3COONa, 1 M CH3COOH, 2.) H2SO4 / 2.) EtOH, reflux, 3 h 2: 6 M NaOH / ethanol / 1 h / Heating
Multi-step reaction with 2 steps 1.1: sodium acetate / acetic acid / 70 °C 1.2: Reflux 2.1: sodium hydroxide; water / ethanol / 3 h / 20 °C
  • 8
  • [ 539-88-8 ]
  • [ 19017-52-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 1.) CH3COONa, 1 M CH3COOH, 2.) H2SO4 / 2.) EtOH, reflux, 3 h 2: 6 M NaOH / ethanol / 1 h / Heating
Multi-step reaction with 2 steps 2: ZnCl2 / Erwaermen des Reaktionsprodukts mit methanol. KOH
Multi-step reaction with 2 steps 1.1: sodium acetate / acetic acid / 70 °C 1.2: Reflux 2.1: sodium hydroxide; water / ethanol / 3 h / 20 °C
  • 9
  • [ 19017-52-8 ]
  • [ 117752-78-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: conc.H2SO4 / 1 h / Heating 2: LiAlH4 / tetrahydrofuran / 2 h / Heating
  • 10
  • [ 19017-52-8 ]
  • 5-Chloro-3-(2-chloro-ethyl)-2-methyl-1H-indole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: conc.H2SO4 / 1 h / Heating 2: LiAlH4 / tetrahydrofuran / 2 h / Heating 3: SOCl2
  • 11
  • [ 19017-52-8 ]
  • 3-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-5-chloro-2-methyl-1H-indole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: conc.H2SO4 / 1 h / Heating 2: LiAlH4 / tetrahydrofuran / 2 h / Heating 3: SOCl2 4: triethylamine / benzene
  • 12
  • [ 1075-35-0 ]
  • [ 19017-52-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 1.2: 20 °C 2.1: water; lithium hydroxide / tetrahydrofuran; methanol / 2 h / 20 °C
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 1.2: -78 - 20 °C / Inert atmosphere 1.3: 24 h / 20 °C / Inert atmosphere 2.1: water; lithium hydroxide / tetrahydrofuran; methanol / 2 h / 20 °C
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 0.5 h / -78 °C / Inert atmosphere 1.2: Inert atmosphere 1.3: 19 h / 20 °C 2.1: lithium hydroxide / 1,4-dioxane; water / 1.5 h
  • 13
  • [ 19017-52-8 ]
  • [ 1297276-86-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: sodium acetate / toluene / 16 h / 200 °C / Inert atmosphere 2: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 16 h / 85 °C 4: water; lithium hydroxide / tetrahydrofuran; methanol / 2 h / 20 °C
Multi-step reaction with 5 steps 1: sodium acetate / 16 h / 200 °C / Inert atmosphere; Sonication 2: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 16 h / 85 °C / Inert atmosphere 4: potassium carbonate / N,N-dimethyl-formamide / 16 h / Inert atmosphere; Heating 5: water; lithium hydroxide / tetrahydrofuran; methanol / 2 h / 20 °C
  • 14
  • [ 19017-52-8 ]
  • [ 1297284-48-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium acetate / toluene / 16 h / 200 °C / Inert atmosphere 2: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux
Multi-step reaction with 2 steps 1: sodium acetate / 16 h / 200 °C / Inert atmosphere; Sonication 2: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux
  • 15
  • [ 19017-52-8 ]
  • [ 1297284-49-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: sodium acetate / toluene / 16 h / 200 °C / Inert atmosphere 2: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 16 h / 85 °C
Multi-step reaction with 3 steps 1: sodium acetate / 16 h / 200 °C / Inert atmosphere; Sonication 2: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 16 h / 85 °C / Inert atmosphere
  • 16
  • [ 19017-52-8 ]
  • [ 1297284-50-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: sodium acetate / toluene / 16 h / 200 °C / Inert atmosphere 2.1: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux 3.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 85 °C 4.1: potassium carbonate / N,N-dimethyl-formamide / 0.27 h / 85 °C / Inert atmosphere 4.2: 20 °C
Multi-step reaction with 4 steps 1: sodium acetate / 16 h / 200 °C / Inert atmosphere; Sonication 2: hydrazine / isopropyl alcohol / 16 h / Inert atmosphere; Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 16 h / 85 °C / Inert atmosphere 4: potassium carbonate / N,N-dimethyl-formamide / 16 h / Inert atmosphere; Heating
  • 17
  • [ 85-44-9 ]
  • [ 19017-52-8 ]
  • [ 1297284-47-9 ]
YieldReaction ConditionsOperation in experiment
77% With sodium acetate In toluene at 200℃; for 16h; Inert atmosphere; 84.3 To a 100 mL round bottom flask under an atmosphere of nitrogen added intermediate 115, 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid (3.59 g, 16.13 mmol, 1.0 equiv), phthalic anhydride (2.39 g, 16.13 mmol, 1.0 equiv) and sodium acetate (7.94 g, 96.81 mmol, 6.0 equiv). 40 mL of toluene was added, and the suspension was sonicated for 5 minutes. The toluene was then removed in vacuo and the resulting powder heated neat to 200° C. for 16 hours. After cooling to room temperature, the resulting brown solid was washed with 1.2N HCl and water and dried. The resulting material was carried on crude (4.08 g, 77%).
77% With sodium acetate at 200℃; for 16h; Inert atmosphere; Sonication;
  • 18
  • [ 172595-66-3 ]
  • [ 19017-52-8 ]
YieldReaction ConditionsOperation in experiment
84% Stage #1: methyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate With water; lithium hydroxide In tetrahydrofuran; methanol at 20℃; for 2h; Stage #2: With hydrogenchloride In tetrahydrofuran; methanol; water 84.2 To a 250 mL round bottom flask was added intermediate 114, methyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate (4.53 g, 19.07 mmol, 1.0 equiv) and 50 mL THF. To this was added a solution of Lithium hydroxide (2.28 g, 95.37 mmol, 5.0 equiv) in 25 mL water. To the resulting biphasic mixture was added methanol dropwise until a single layer formed. The resulting solution was stirred for 2 hours at room temperature. It was then poured into 1.2 N HCl(aq) and the aqueous layer was extracted with three 100 mL portions of ethyl acetate. The combined organic layers were washed with water and brine and dried over magnesium sulfate. Filtration and removal of solvent in vacuo gave the desired product (3.59 g, 84%). 1H NMR (400 MHz, DMSO-d6) δ 2.32 (s, 3H) 3.56 (s, 2H) 6.98 (dd, J=8.5, 2.1 Hz, 1H) 7.25 (d, J=8.6 Hz, 1H) 7.40 (d, J=2.0 Hz, 1H) 11.05 (s, 1H) 12.12 (s, 1H).
84% With water; lithium hydroxide In tetrahydrofuran; methanol at 20℃; for 2h;
With lithium hydroxide In 1,4-dioxane; water for 1.5h;
  • 20
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-phenyl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 21
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 22
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 23
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-(4-methylphenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 24
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-(4-nitrophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 25
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-(3-nitrophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 26
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-(3-methoxyphenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 27
  • [ 19017-52-8 ]
  • 3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-6-(4-methoxyphenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: ethanol / 8 h / Reflux
  • 28
  • [ 19017-52-8 ]
  • thiocarbohydrazide [ No CAS ]
  • 4-amino-5-mercapto-3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% at 140℃; for 6h; 2.1.2. General Procedure for the Synthesis of 4-amino-5-mercapto-3-[(5-substituted-2-methyl-1H-indol-3-yl)-methyl]-1,2,4-triazoles (2a-c) General procedure: 4-Amino-5-mercapto-3-[(5-substituted-2-methyl-1H-indol-3-yl)methyl]-1,2,4-triazoles (2a-c) were synthesized by the fusion reaction of 5-substituted-2-methylindole-3-acetic acids 1a-c (50 mmol) with thiocarbohydrazide (50 mmol) in oil bath at 140°C for 6 hours. The solid formed was neutralized by saturated sodium bicarbonate solution. The crude triazole was then purified by recrystallization using hot ethanol[38].
  • 29
  • [ 19017-52-8 ]
  • N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-hydroxyacetamide [ No CAS ]
  • 2-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)amino)-2-oxoethyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
79 mg With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 17h;
  • 30
  • [ 19017-52-8 ]
  • 5-chloro-2-methyl-3-(2-morpholinoethyl)-1H-indole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 0 °C 1.2: 0 - 20 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 48 h / 0 - 20 °C / Inert atmosphere
  • 31
  • [ 19017-52-8 ]
  • tert-butyl-2-(5-chloro-2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 0 °C 1.2: 0 - 20 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 48 h / 0 - 20 °C / Inert atmosphere 3.1: sodium hydride / N,N-dimethyl-formamide / 0 °C / Inert atmosphere 3.2: 12 h / 20 - 50 °C / Inert atmosphere
  • 32
  • [ 19017-52-8 ]
  • 2-(5-chloro-2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)acetic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 0 °C 1.2: 0 - 20 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 48 h / 0 - 20 °C / Inert atmosphere 3.1: sodium hydride / N,N-dimethyl-formamide / 0 °C / Inert atmosphere 3.2: 12 h / 20 - 50 °C / Inert atmosphere 4.1: trifluoroacetic acid / dichloromethane / 16 h / 20 °C
  • 33
  • [ 19017-52-8 ]
  • (5-chloro-2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(2,3-dichlorophenyl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 0 °C 1.2: 0 - 20 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 48 h / 0 - 20 °C / Inert atmosphere 3.1: N,N,N,N,N,N-hexamethylphosphoric triamide; potassium hexamethylsilazane / tetrahydrofuran; toluene / 0.5 h / -78 - -22 °C / Inert atmosphere 3.2: -78 - 20 °C / Inert atmosphere
  • 34
  • [ 19017-52-8 ]
  • (5-chloro-2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(pyrrolidin-1-yl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / N,N-dimethyl-formamide / 0 °C 1.2: 0 - 20 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 48 h / 0 - 20 °C / Inert atmosphere 3.1: N,N,N,N,N,N-hexamethylphosphoric triamide; potassium hexamethylsilazane / tetrahydrofuran; toluene / 0.5 h / -78 - -22 °C / Inert atmosphere 3.2: -78 - 20 °C / Inert atmosphere
  • 35
  • [ 110-91-8 ]
  • [ 19017-52-8 ]
  • 2-(5-chloro-2-methyl-1H-indol-3-yl)-1-morpholinoethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% Stage #1: 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0℃; Stage #2: morpholine In N,N-dimethyl-formamide at 0 - 20℃;
  • 36
  • [ 19017-52-8 ]
  • C19H16ClN5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 37
  • [ 19017-52-8 ]
  • C20H18ClN5O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 38
  • [ 19017-52-8 ]
  • C20H18ClN5O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 39
  • [ 19017-52-8 ]
  • C20H16ClN5O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 40
  • [ 19017-52-8 ]
  • C19H16ClN5OS [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 41
  • [ 19017-52-8 ]
  • C19H16ClN5OS [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 42
  • [ 19017-52-8 ]
  • C20H18ClN5OS [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 43
  • [ 19017-52-8 ]
  • C20H18ClN5OS [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 44
  • [ 19017-52-8 ]
  • C19H15Cl2N5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 45
  • [ 19017-52-8 ]
  • C19H15ClFN5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 46
  • [ 19017-52-8 ]
  • C20H18ClN5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 6 h / 140 °C 2: L-Tartaric acid / ethanol / 3 h / Reflux
  • 47
  • [ 19017-52-8 ]
  • [ 2231-57-4 ]
  • 4-amino-5-mercapto-3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]-1,2,4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% at 140℃; for 6h; 3.1.2. General procedure for the synthesis of 4-amino-5-mercapto-3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]1,2,4-triazole (2) 4-Amino-5-mercapto-3-[(5-chloro-2-methyl-1H-indol-3-yl)methyl]1,2,4-triazole 2 was synthesized by the fusion reactionof 5-chloro-2-methylindole-3-acetic acid 1 (50 mmol)and thiocarbohydrazide (50 mmol) in oil bath at 140°C for 6hours. The solid formed was cooled down to room temperaturebefore washed with a saturated sodium bicarbonate solution.The crude triazole was then recrystallized by using hotethanol. Yield is 83% [3, 25].
  • 48
  • [ 19017-52-8 ]
  • 5-chloro-3a-hydroxy-8a-methyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With oxone||potassium monopersulfate triple salt; sodium hydrogencarbonate In water; acetone at 20℃; for 1h;
  • 49
  • [ 19017-52-8 ]
  • (3aS,8aR)-5-chloro-3a-hydroxy-8a-methyl-3,3a,8,8a-tetrahydro-2H-furo[2,3-b]indol-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
49% With glucose-6-phosphate; 6-phosphate dehydrogenase; oxygen; Fre protein of Escherichia coli; TsrE protein of Escherichia coli; nicotinamide adenine dinucleotide; flavin adenine dinucleotide In aq. buffer at 20℃; for 0.5h; Enzymatic reaction; enantioselective reaction;
Same Skeleton Products
Historical Records

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[ 19017-52-8 ]

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2-(6-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.98

Chemical Structure| 6127-20-4

[ 6127-20-4 ]

2-(4-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.95

Chemical Structure| 105908-44-9

[ 105908-44-9 ]

(4-Chloro-2,7-dimethyl-1h-indol-3-yl)acetic acid

Similarity: 0.94

Chemical Structure| 25177-74-6

[ 25177-74-6 ]

2-(7-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.94

Chemical Structure| 25177-67-7

[ 25177-67-7 ]

2-(5,7-Dichloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.92

Carboxylic Acids

Chemical Structure| 6127-21-5

[ 6127-21-5 ]

2-(6-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.98

Chemical Structure| 6127-20-4

[ 6127-20-4 ]

2-(4-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.95

Chemical Structure| 105908-44-9

[ 105908-44-9 ]

(4-Chloro-2,7-dimethyl-1h-indol-3-yl)acetic acid

Similarity: 0.94

Chemical Structure| 25177-74-6

[ 25177-74-6 ]

2-(7-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.94

Chemical Structure| 25177-67-7

[ 25177-67-7 ]

2-(5,7-Dichloro-2-methyl-1H-indol-3-yl)acetic acid

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Related Parent Nucleus of
[ 19017-52-8 ]

Indoles

Chemical Structure| 6127-21-5

[ 6127-21-5 ]

2-(6-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.98

Chemical Structure| 6127-20-4

[ 6127-20-4 ]

2-(4-Chloro-2-methyl-1H-indol-3-yl)acetic acid

Similarity: 0.95

Chemical Structure| 105908-44-9

[ 105908-44-9 ]

(4-Chloro-2,7-dimethyl-1h-indol-3-yl)acetic acid

Similarity: 0.94

Chemical Structure| 25177-74-6

[ 25177-74-6 ]

2-(7-Chloro-2-methyl-1H-indol-3-yl)acetic acid

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Chemical Structure| 172595-66-3

[ 172595-66-3 ]

Methyl 2-(5-chloro-2-methyl-1H-indol-3-yl)acetate

Similarity: 0.92