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[ CAS No. 1176714-51-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1176714-51-4
Chemical Structure| 1176714-51-4
Structure of 1176714-51-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1176714-51-4 ]

CAS No. :1176714-51-4 MDL No. :MFCD13190227
Formula : C8H7BrN2S Boiling Point : -
Linear Structure Formula :- InChI Key :AZUIOPKOUGBGNZ-UHFFFAOYSA-N
M.W : 243.12 Pubchem ID :39106274
Synonyms :

Calculated chemistry of [ 1176714-51-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 54.99
TPSA : 67.15 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : 1.96
Log Po/w (WLOGP) : 2.37
Log Po/w (MLOGP) : 1.65
Log Po/w (SILICOS-IT) : 3.39
Consensus Log Po/w : 2.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.07
Solubility : 0.206 mg/ml ; 0.000849 mol/l
Class : Soluble
Log S (Ali) : -3.0
Solubility : 0.246 mg/ml ; 0.00101 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.87
Solubility : 0.0325 mg/ml ; 0.000134 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 1176714-51-4 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1176714-51-4 ]

* 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 [ 1176714-51-4 ]

[ 1176714-51-4 ] Synthesis Path-Downstream   1~37

  • 1
  • [ 66416-72-6 ]
  • [ 1176714-51-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: copper(II) oxide / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 1.2: 3 h / 60 °C / Sealed tube; Inert atmosphere 2.1: hydrogenchloride / 1,4-dioxane / 16 h / 0 - 20 °C
Multi-step reaction with 2 steps 1.1: copper(II) oxide / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 1.2: 3 h / 80 °C / Inert atmosphere; Sealed tube 2.1: hydrogenchloride / 1,4-dioxane / 16 h / 0 - 20 °C
  • 2
  • [ 1176714-51-4 ]
  • [ 150440-76-9 ]
  • [ 2245165-93-7 ]
YieldReaction ConditionsOperation in experiment
56% With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In N,N-dimethyl-formamide at 20℃; for 16h; 35.c c. tert-butyl 2-[2- [(6-bromo- 1,3 -benzothiazol-2-yl)methylcarbamoyl] indan-2-yl] acetate Et3N (6 mL, 43.01 mmol), 2-(2-tert-butoxy-2-oxo-ethyl)indane-2-carboxylic acid (2.17 g, 7.88 mmol) and T3P (8 mL, 10.75 mmol) were added to a stirred solution of (6-bromo-1,3- benzothiazol-2-yl)methanamine (2 g, 7.16 mmol) in DMF (20 mL) at RT. The reaction mixture was stirred for 16 h and diluted with ice cold water (120 mL). The resulting precipitate was filtered, washed with water and dried under high vacuum affording a white solid (1.9 g, 5 6%).M/z 501.3 (M+H).
  • 3
  • [ 2245165-92-6 ]
  • [ 1176714-51-4 ]
YieldReaction ConditionsOperation in experiment
86% With hydrogenchloride In 1,4-dioxane at 0 - 20℃; for 16h; 35.b b. (6-bromo- 1,3 -benzothiazol-2-yl)methanamine 4N HC1 in dioxane (10 mL) was added to a solution of tert-butylN-[(6-bromo-1,3-benzothiazol-2-yl)methyl]carbamate (5 g, 14.61 mmol) in dioxane (10 mL) at 0 °C. Thereaction mixture was stirred at RT for 16 h and concentrated under reduced pressure. Thecrude compound was triturated with n-pentane (20 mL) and Et20 (20 mL) affording a white solid (3.5 g, 86%). M/z 243.1 (M).
  • 4
  • [ 1176714-51-4 ]
  • [ 2245165-02-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: 16 h / 20 °C 4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 2 h / 20 °C
Multi-step reaction with 5 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: 16 h / 20 °C 5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 2 h / 20 °C
  • 5
  • [ 1176714-51-4 ]
  • [ 2245166-26-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere
  • 6
  • [ 1176714-51-4 ]
  • [ 2245166-27-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C
  • 7
  • [ 1176714-51-4 ]
  • [ 2245166-28-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: 16 h / 20 °C
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: 16 h / 20 °C
  • 8
  • [ 1176714-51-4 ]
  • [ 2245165-03-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: 16 h / 20 °C 4.1: tetrahydrofuran / 3 h / 0 - 20 °C 5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 2 h / 20 °C
Multi-step reaction with 6 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: 16 h / 20 °C 5.1: tetrahydrofuran / 3 h / 0 - 20 °C 6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 2 h / 20 °C
  • 9
  • [ 1176714-51-4 ]
  • [ 2245166-30-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: 16 h / 20 °C 4.1: tetrahydrofuran / 3 h / 0 - 20 °C
Multi-step reaction with 5 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: 16 h / 20 °C 5.1: tetrahydrofuran / 3 h / 0 - 20 °C
  • 10
  • [ 1176714-51-4 ]
  • [ 2245165-04-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine; copper diacetate / dichloromethane / 16 h / 20 °C / Molecular sieve 4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 4 h / 20 °C
Multi-step reaction with 5 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine; copper diacetate / dichloromethane / 16 h / 20 °C / Molecular sieve 5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 4 h / 20 °C
  • 11
  • [ 1176714-51-4 ]
  • [ 2245166-31-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine; copper diacetate / dichloromethane / 16 h / 20 °C / Molecular sieve
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine; copper diacetate / dichloromethane / 16 h / 20 °C / Molecular sieve
  • 12
  • [ 1176714-51-4 ]
  • [ 2245165-05-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: air / 16 h / 20 °C 4.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C
Multi-step reaction with 5 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: air / 16 h / 20 °C 5.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C
  • 13
  • [ 1176714-51-4 ]
  • [ 2245166-32-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: air / 16 h / 20 °C
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: air / 16 h / 20 °C
  • 14
  • [ 1176714-51-4 ]
  • [ 2245166-33-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: 16 h / 20 °C
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: 16 h / 20 °C
  • 15
  • [ 1176714-51-4 ]
  • [ 2245165-06-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 3.2: 16 h / 20 °C 4.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C
Multi-step reaction with 5 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: potassium acetate / 1,4-dioxane / 0.25 h / 20 °C / Inert atmosphere 2.2: 4 h / 90 °C / Inert atmosphere 3.1: sodium periodate / tetrahydrofuran; water / 0.5 h / 20 °C 4.1: triethylamine / dichloromethane / 0.17 h / 20 °C / Molecular sieve 4.2: 16 h / 20 °C 5.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C
  • 16
  • [ 1176714-51-4 ]
  • [ 2245165-15-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: caesium carbonate / toluene; water / 0.25 h / 20 °C / Inert atmosphere 2.2: Suzuki Coupling / 16 h / 90 °C / Inert atmosphere; Sealed tube 3.1: trifluoroacetic acid / dichloromethane / 4 h / 20 °C
  • 17
  • [ 1176714-51-4 ]
  • [ 2245166-34-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: caesium carbonate / toluene; water / 0.25 h / 20 °C / Inert atmosphere 2.2: Suzuki Coupling / 16 h / 90 °C / Inert atmosphere; Sealed tube
  • 18
  • [ 1176714-51-4 ]
  • [ 2245165-16-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: caesium carbonate / tetrahydrofuran; water / 0.25 h / 20 °C / Inert atmosphere 2.2: 8 h / 80 °C / Inert atmosphere; Sealed tube 3.1: trifluoroacetic acid / dichloromethane / 2 h / 0 - 20 °C
  • 19
  • [ 1176714-51-4 ]
  • [ 2245166-35-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: caesium carbonate / tetrahydrofuran; water / 0.25 h / 20 °C / Inert atmosphere 2.2: 8 h / 80 °C / Inert atmosphere; Sealed tube
  • 20
  • [ 1176714-51-4 ]
  • [ 2245165-17-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: caesium carbonate / tetrahydrofuran; water / 0.25 h / 20 °C / Inert atmosphere 2.2: 8 h / 80 °C / Inert atmosphere; Sealed tube 3.1: tetrahydrofuran / 16 h / 0 - 20 °C 4.1: trifluoroacetic acid / dichloromethane / 2 h / 0 - 20 °C
  • 21
  • [ 1176714-51-4 ]
  • [ 2245166-37-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: caesium carbonate / tetrahydrofuran; water / 0.25 h / 20 °C / Inert atmosphere 2.2: 8 h / 80 °C / Inert atmosphere; Sealed tube 3.1: tetrahydrofuran / 16 h / 0 - 20 °C
  • 22
  • [ 1176714-51-4 ]
  • [ 2245165-34-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / dichloromethane / 5 h / 20 °C 3.1: potassium phosphate / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 3.2: 16 h / 90 °C / Inert atmosphere; Sealed tube 4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 2 h / 20 °C
  • 23
  • [ 1176714-51-4 ]
  • [ 2245166-57-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / dichloromethane / 5 h / 20 °C 3.1: potassium phosphate / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 3.2: 16 h / 90 °C / Inert atmosphere; Sealed tube
  • 24
  • [ 1176714-51-4 ]
  • [ 2245164-71-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: triethylamine; copper(l) iodide / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 2.2: Sonogashira Cross-Coupling / 18 h / 80 °C / Inert atmosphere; Sealed tube 3.1: trifluoroacetic acid; triethylsilane / dichloromethane / 5 h / 20 °C
  • 25
  • [ 1176714-51-4 ]
  • [ 2245165-94-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: triethylamine; copper(l) iodide / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 2.2: Sonogashira Cross-Coupling / 18 h / 80 °C / Inert atmosphere; Sealed tube
  • 26
  • [ 1176714-51-4 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: triethylamine; copper(l) iodide / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 2.2: Sonogashira Cross-Coupling / 18 h / 80 °C / Inert atmosphere; Sealed tube 3.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 h / 20 °C 4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 6 h / 20 °C
  • 27
  • [ 1176714-51-4 ]
  • [ 2245165-95-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: triethylamine; copper(l) iodide / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 2.2: Sonogashira Cross-Coupling / 18 h / 80 °C / Inert atmosphere; Sealed tube 3.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 h / 20 °C
  • 28
  • [ 1176714-51-4 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: triethylamine; copper(l) iodide / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 2.2: Sonogashira Cross-Coupling / 18 h / 80 °C / Inert atmosphere; Sealed tube 3.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 h / 20 °C 4.1: tetrahydrofuran / 5 h / 0 - 20 °C 5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 4 h / 20 °C
  • 29
  • [ 1176714-51-4 ]
  • [ 2245165-96-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: triethylamine; copper(l) iodide / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 2.2: Sonogashira Cross-Coupling / 18 h / 80 °C / Inert atmosphere; Sealed tube 3.1: hydrogen; palladium 10% on activated carbon / ethanol / 20 h / 20 °C 4.1: tetrahydrofuran / 5 h / 0 - 20 °C
  • 30
  • [ 1176714-51-4 ]
  • [ 2245164-74-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere 3.1: hydrogen; palladium 10% on activated carbon / ethanol / 16 h / 20 °C 4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 6 h / 20 °C
  • 31
  • [ 1176714-51-4 ]
  • [ 2245165-98-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere
  • 32
  • [ 1176714-51-4 ]
  • [ 2245165-99-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere 3.1: hydrogen; palladium 10% on activated carbon / ethanol / 16 h / 20 °C
  • 33
  • [ 1176714-51-4 ]
  • [ 2245164-75-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere 3.1: trifluoroacetic acid; triethylsilane / dichloromethane / 3 h / 20 °C
  • 34
  • [ 1176714-51-4 ]
  • [ 2245164-77-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / dichloromethane / 5 h / 20 °C 3.1: potassium phosphate / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 3.2: 20 h / 75 °C / Inert atmosphere; Sealed tube 4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 3 h / 20 °C
  • 35
  • [ 1176714-51-4 ]
  • [ 2245166-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2: trifluoroacetic acid; triethylsilane / dichloromethane / 5 h / 20 °C
  • 36
  • [ 1176714-51-4 ]
  • [ 2245166-05-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / dichloromethane / 5 h / 20 °C 3.1: potassium phosphate / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 3.2: 20 h / 75 °C / Inert atmosphere; Sealed tube
  • 37
  • [ 1176714-51-4 ]
  • [ 2245164-78-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: triethylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide / 16 h / 20 °C 2.1: trifluoroacetic acid; triethylsilane / dichloromethane / 5 h / 20 °C 3.1: potassium phosphate / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 3.2: 20 h / 80 °C / Inert atmosphere; Sealed tube
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