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[ CAS No. 40851-97-6 ] {[proInfo.proName]}

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Product Details of [ 40851-97-6 ]

CAS No. :40851-97-6 MDL No. :MFCD22561419
Formula : C6H4ClN3S Boiling Point : -
Linear Structure Formula :- InChI Key :LHDMCRKGLAMXJH-UHFFFAOYSA-N
M.W : 185.63 Pubchem ID :56676724
Synonyms :

Calculated chemistry of [ 40851-97-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 46.29
TPSA : 76.56 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) : -6.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.49
Log Po/w (XLOGP3) : 1.39
Log Po/w (WLOGP) : 2.27
Log Po/w (MLOGP) : 0.29
Log Po/w (SILICOS-IT) : 3.81
Consensus Log Po/w : 1.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.47
Solubility : 0.626 mg/ml ; 0.00337 mol/l
Class : Soluble
Log S (Ali) : -2.6
Solubility : 0.465 mg/ml ; 0.0025 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.27
Solubility : 0.101 mg/ml ; 0.000542 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77

Safety of [ 40851-97-6 ]

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 [ 40851-97-6 ]

* 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 [ 40851-97-6 ]

[ 40851-97-6 ] Synthesis Path-Downstream   1~43

  • 1
  • [ 75-15-0 ]
  • [ 40851-95-4 ]
  • [ 40851-97-6 ]
YieldReaction ConditionsOperation in experiment
67% Stage #1: carbon disulfide; 6-chloropyridine-2,3-diamine With sodium hydroxide In ethanol Reflux; Stage #2: With hydrogenchloride In ethanol 6.2.14. 5-Chloro-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione (9b) A mixture of 0.144 g (1 mmol) 6-chlorpyridine-2,3-diamine, 20 ml ethanol, one pellet of NaOH and 0.5 ml CS2 is heated to reflux7 as described. When the reaction is completed (TLC control) the mixture is acidified with HCl (2 mol/l), the solvent is evaporated under reduced pressure. The resulting solid is washed several times with H2O. Beige solid, yield: 0.125 g (0.67 mmol), 67%, mp: 290-295 °C. IR: inlMMLBox (cm-1) = 3130; 3063; 2945; 1604. 1H NMR: (200 MHz, DMSO-d6) δ (ppm) = 13.31 (s, 1H, NH); 12.86 (s, 1H, NH); 7.50 (d, 1H, J = 8.2 Hz, H arom.); 7.19 (d, 1H, J = 8.2 Hz, H arom.). 13C NMR: (50 MHz, DMSO-d6) δ (ppm) = 170.36; 145.80; 142.48; 124.73; 118.75; 117.43.
With pyridine In ethanol at 40℃; a To a solution of 6-chioropyridine-2,3 -diamine (144 mg, 1 mM) in a mixture of EtOH (5 mL) and pyridine (2 mL) was added carbon disulfide (0.5 mL) at r.t.. The mixture was stirred at 40 °C overnight The mixture was cooled to r.t, the resulting solid was filtered and washed with ether to give light yellow solid 5-chforo-l H-imidazo[4,5-b]pyTidme-2(3H)- thione.
With pyridine In ethanol at 40℃; (a) To a solution of 6-chloropyridine-2,3-diamine (144 mg, 1 mM) in a mixture of EtOH (5 mL) and pyridine (2 mL) was added carbon disulfide (0.5 mL) at r.t.. The mixture was stirred at 40 °C overnight. The mixture was cooled to r.t., the resulting solid was filtered and washed with ether to give light yellow solid 5-chloro-1H-imidazo[4,5-b]pyridine-2(3H)-thione.LC/MS: (ESI) (M +H)+= 187.1
  • 2
  • [ 40851-97-6 ]
  • 2-bromo-5-chloro-1H-imidazo[4,5-b]pyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With hydrogen bromide; bromine; acetic acid In water at 20℃; Cooling with ice; b 5-chloro-lH-imidazo[4,5-b]pyridine-2(3H)-thione (92.5 mg, 0.5 mM) was dissolved in acetic acid (2 mL), 48% HBr (aq) (0.084 mL) was added and the mixture cooled under ice. Br2 (0.1 ml.) was added to the mixture under vigorous shaking. The mixture was vigorously stirred at r.t. over night. FI?0 (2 mL) was added, and the resulting solution was cooled in an ice bath. The pH was adjusted to 4 with solid NaOH, and the precipitate was collected by filtration and washed by ether to get 2-brom.o-5-cbloro-lH-imidazo[4,5- b]pyridine,
With hydrogen bromide; bromine In acetic acid at 20℃; Cooling with ice; Procedures s3: (b) Intermediate 5-chloro-1H-imidazo[4,5-b]pyridine-2(3H)-thione (92.5 mg, 0.5 mM) was dissolved in acetic acid (2 mL), 48% HBr (aq) (0.084 mL) was added and the mixture cooled under ice. Br2(0.1 mL) was added to the mixture under vigorous shaking. The mixture was vigorously stirred at r.t. over night. H2O (2 mL) was added, and the resulting solution was cooled in an ice bath. The pH was adjusted to 4 with solid NaOH, and the precipitate was collected by filtration and washed by ether.LC/MS: (ESI) (M +H)+= 235.3
  • 3
  • [ 40851-97-6 ]
  • tert-butyl (1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-yl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 4
  • [ 40851-97-6 ]
  • 1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)azetidin-3-amine hydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 5
  • [ 40851-97-6 ]
  • (S)-5-chloro-2-(3-((3,5-dichlorobenzyl)oxy)piperidin-1-yl)-1H-imidazo[4,5-b]pyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 6
  • [ 40851-97-6 ]
  • tert-butyl 2-(5-chloro-N-methyl-1H-imidazo[4,5-b]pyridin-2-ylamino)ethylcarbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2: pyridine / 110 °C
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 7
  • [ 40851-97-6 ]
  • N1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N2-(3,5-dichlorobenzyl)-N1-methylethane-1,2-diamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2.1: pyridine / 110 °C 3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C 3.2: 20 °C
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 8
  • [ 40851-97-6 ]
  • N-(3,5-dichlorobenzyl)-N-(2-(5-chloro-N-methyl-1H-imidazo[4,5-b]pyridin-2-ylamino)ethyl)acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2.1: pyridine / 110 °C 3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C 3.2: 20 °C 4.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 °C
  • 9
  • [ 40851-97-6 ]
  • N-(3,5-dichlorobenzyl)-N-(2-(5-chloro-N-methyl-1H-imidazo[4,5-b]pyridin-2-ylamino)ethyl)propionamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2.1: pyridine / 110 °C 3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C 3.2: 20 °C 4.1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 20 °C
  • 10
  • [ 40851-97-6 ]
  • methyl 3,5-dichlorobenzyl-2-(5-chloro-N-methyl-1H-imidazo[4,5-b]pyridin-2-ylamino)ethylcarbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2.1: pyridine / 110 °C 3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C 3.2: 20 °C 4.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 °C
  • 11
  • [ 40851-97-6 ]
  • 1-(3,5-dichlorobenzyl)-1-(2-(5-chloro-N-methyl-1H-imidazo[4,5-b]pyridin-2-ylamino)ethyl)urea [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2.1: pyridine / 110 °C 3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C 3.2: 20 °C 4.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 °C
  • 12
  • [ 40851-97-6 ]
  • (N-(3,5-dichlorobenzyl)-N-(2-(5-chloro-N-methyl-1H-imidazo[4,5-b]pyridin-2-ylamino)ethyl)carbamoyl)methyl acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2.1: pyridine / 110 °C 3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C 3.2: 20 °C 4.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 °C
  • 13
  • [ 40851-97-6 ]
  • N-(3,5-dichlorobenzyl)-N-(2-(5-chloro-N-methyl-1H-imidazo[4,5-b]pyridin-2-ylamino)ethyl)-2-hydroxyacetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: hydrogen bromide; bromine; acetic acid / water / 20 °C / Cooling with ice 2.1: pyridine / 110 °C 3.1: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C 3.2: 20 °C 4.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 °C 5.1: potassium carbonate / methanol / 1 h / 20 °C
  • 14
  • [ 40851-97-6 ]
  • 2-((5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio)-N-(3,5-dichlorobenzyl)ethanamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium carbonate / acetonitrile / 20 °C 2: hydrazine / methanol / 0.33 h / 70 °C / Microwave irradiation 3: acetic acid / methanol / 0.5 h
Multi-step reaction with 3 steps 1: potassium carbonate / acetonitrile / 20 °C 2: hydrazine / methanol / 0.33 h / 70 °C / Microwave irradiation 3: acetic acid / methanol / 0.5 h
  • 15
  • [ 40851-97-6 ]
  • 2-((5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio)ethanamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / 20 °C 2: hydrazine / methanol / 0.33 h / 70 °C / Microwave irradiation
Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / 20 °C 2: hydrazine / methanol / 0.33 h / 70 °C / Microwave irradiation
  • 16
  • [ 40851-97-6 ]
  • [ 105-36-2 ]
  • ethyl 2-((5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio)acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 5-chloro-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione With potassium carbonate In acetonitrile at 20℃; for 0.166667h; Stage #2: ethyl bromoacetate In acetonitrile at 20℃; 5-chloro- lH-irnidazo[4,5-b]pyridine-2(3H)-thione (ieq) was dissolved in CH3CN, K2CO3 (4 eq) was added and the resulting mixture was stirred at r.t. for 10 min. Ethyl 2- bromoacetate (leq) dissolved in CHjCN was added dropwise. After the mixture was stirred ai r.t. overnight, the solvent was evaporated off under reduced pressure. The residue was extracted with DCM, washed with brine, concentrated under vacuum to produce the product ethyl 2-((5-ch1oro-lH-imidazo[4,5~b]pyridin-2~y{)thio)acetate which was used for the next step without further purification.
  • 17
  • [ 574-98-1 ]
  • [ 40851-97-6 ]
  • 2-(2-((5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio)ethyl)isoindoline-1,3-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate In acetonitrile at 20℃; 5-chloro- lH-imidazo[4,5-b]pyrid ne-2(3H)-thione O eq), 2-(2- bromoethyl)isoindoline- l ,3-dione (l eq) were dissolved in CH3CN, K2CO3 (4eq) was added and the resulting mixture was stirred at room temperature over night. After the mixture was 206 extracted with DCM, washed with brine, concentrated under vacuum and purified via flash column chromatography (10% MeOH in DCM ) to yield the intermediate 2~(2-((5-chloro-lH- imidazo[4,5-b]pyridin-2-yj)thio)ethyj isomdolme-l ,3-dione.
With potassium carbonate In acetonitrile at 20℃; (a) Compound 5-chloro-1H-imidazo[4,5-b]pyridine-2(3H)-thione 39 (1 eq), 2-(2-bromoethyl) isoindoline-1,3-dione (1eq) were dissolved in CH3CN, K2CO3 (4 eq) was added and the resulting mixture was stirred at room temperature overnight. The mixture was extracted with DCM, washed with brine, concentrated under vacuum and purified via flash column chromatography (10% MeOH in DCM) to yieldtheintermediate 40: 2-(2-((5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)thio)ethyl)isoindoline-1,3-dione. MS (ESI) [M+H]+=361.3
  • 18
  • [ 40851-97-6 ]
  • 1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)piperidin-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 19
  • [ 40851-97-6 ]
  • (R)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)piperidin-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 20
  • [ 40851-97-6 ]
  • (S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)piperidin-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 21
  • [ 40851-97-6 ]
  • 3,5-dichloro-N-((1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)piperidin-3-yl)methyl)aniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 22
  • [ 40851-97-6 ]
  • (S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorophenyl)piperidine-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 23
  • [ 40851-97-6 ]
  • (S)-3,5-dichloro-N-(1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)piperidin-3-yl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 24
  • [ 40851-97-6 ]
  • 1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)piperidin-4-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 25
  • [ 40851-97-6 ]
  • 1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)azetidin-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 26
  • [ 40851-97-6 ]
  • (R)-1-(5-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)pyrrolidin-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 27
  • [ 40851-97-6 ]
  • (S)-1-(5-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)pyrrolidin-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 28
  • [ 40851-97-6 ]
  • 1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-(3,5-dichlorobenzyl)azepan-3-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2.1: pyridine / 0.5 h / 100 °C / Microwave irradiation 3.1: trifluoroacetic acid / dichloromethane / 0 - 20 °C 4.1: N-ethyl-N,N-diisopropylamine / methanol / 0.17 h / 20 °C 4.2: 20 °C
  • 29
  • [ 40851-97-6 ]
  • C11H14ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 30
  • [ 40851-97-6 ]
  • C11H14ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 31
  • [ 40851-97-6 ]
  • C11H14ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 32
  • [ 40851-97-6 ]
  • C11H14ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 33
  • [ 40851-97-6 ]
  • C10H12ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 34
  • [ 40851-97-6 ]
  • C10H12ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 35
  • [ 40851-97-6 ]
  • C12H16ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
  • 36
  • [ 40851-97-6 ]
  • C17H24ClN5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 37
  • [ 40851-97-6 ]
  • C15H20ClN5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 38
  • [ 40851-97-6 ]
  • C15H20ClN5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 39
  • [ 40851-97-6 ]
  • C16H22ClN5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 40
  • [ 40851-97-6 ]
  • C16H22ClN5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 41
  • [ 40851-97-6 ]
  • C16H22ClN5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 42
  • [ 40851-97-6 ]
  • C16H22ClN5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation
  • 43
  • [ 40851-97-6 ]
  • C9H12ClN5*ClH [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: bromine; hydrogen bromide / acetic acid / 20 °C / Cooling with ice 2: pyridine / 0.5 h / 100 °C / Microwave irradiation 3: trifluoroacetic acid / dichloromethane / 0 - 20 °C
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