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Name |
5,7-Dichloro-1H-imidazo[4,5-b]pyridine |
EINECS | N/A |
CAS No. | 24485-01-6 | Density | 1.675 g/cm3 |
PSA | 41.57000 | LogP | 2.26470 |
Solubility | N/A | Melting Point |
273-274 °C |
Formula | C6H3Cl2N3 | Boiling Point | 416.867 °C at 760 mmHg |
Molecular Weight | 188.016 | Flash Point | 238.425 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Imidazo[4,5-b]pyridine,5,7-dichloro- (8CI,9CI);5,7-Dichloro-1H-imidazo[4,5-b]pyridine;5,7-Dichloroimidazo[4,5-b]pyridine;NSC 264046; |
Article Data | 9 |
7-nitro-1H-imidazo[4,5-b]pyridine 4-oxide
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate In N,N-dimethyl-formamide at 0 - 120℃; for 3h; | 90% |
With trichlorophosphate at 100℃; for 2.5h; | 86% |
Multi-step reaction with 2 steps 1: 51 percent / H2 / 5percent Pd on charcoal / ethanol / 5 h / 2280 Torr / Ambient temperature 2: phosphoryl chloride View Scheme |
7-nitroimidazo<4,5-b>pyridine 4-oxide
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate In N,N-dimethyl-formamide for 2h; Heating; | 80% |
With trichlorophosphate In N,N-dimethyl-formamide at 115℃; for 0.166667h; | 50% |
With trichlorophosphate In N,N-dimethyl-formamide | |
With trichlorophosphate In N,N-dimethyl-formamide |
7-Amino-3H-imidazo<4,5-b>pyridine 4-N-Oxide
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate |
3H-Imidazo<4,5-b>pyridine 4-N-oxide
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 67 percent / trifluoroacetic acid; HNO3 / 3 h / 90 °C 2: 80 percent / POCl3 / dimethylformamide / 2 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: trifluoroacetic acid; nitric acid / 4 h / 90 °C 2: trichlorophosphate / N,N-dimethyl-formamide / 0.17 h / 115 °C View Scheme |
3H-imidazo[4,5-b]pyridine
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 96 percent / aq. H2O2; acetic acid / 19 h / 60 - 70 °C 2: 67 percent / trifluoroacetic acid; HNO3 / 3 h / 90 °C 3: 80 percent / POCl3 / dimethylformamide / 2 h / Heating View Scheme | |
Multi-step reaction with 3 steps 1: 3-chloro-benzenecarboperoxoic acid / 72 h / 20 °C 2: trifluoroacetic acid; nitric acid / 4 h / 90 °C 3: trichlorophosphate / N,N-dimethyl-formamide / 0.17 h / 115 °C View Scheme |
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
With trichlorophosphate In water |
1H-Imidazo[4,5-b]pyridine
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: dihydrogen peroxide / acetic acid / 50 - 70 °C 2: nitric acid / trifluoroacetic acid / 3.5 h / 0 - 90 °C 3: trichlorophosphate / N,N-dimethyl-formamide / 3 h / 0 - 120 °C View Scheme |
Imidazo<4,5-b>pyridine 4-Oxide
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: nitric acid / trifluoroacetic acid / 3.5 h / 0 - 90 °C 2: trichlorophosphate / N,N-dimethyl-formamide / 3 h / 0 - 120 °C View Scheme |
2,3-Diaminopyridine
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: orthoformic acid triethyl ester / 3 h / 145 °C 1.2: 2 h / 110 °C 1.3: activated charcoal / 20 °C 2.1: 3-chloro-benzenecarboperoxoic acid / 72 h / 20 °C 3.1: trifluoroacetic acid; nitric acid / 4 h / 90 °C 4.1: trichlorophosphate / N,N-dimethyl-formamide / 0.17 h / 115 °C View Scheme |
5,7-dichloro-3H-imidazo<4,5-b>pyrimidine
1,2,3,5-tetraacetylribose
1-(5,7-dichloro-imidazo[4,5-b]pyridin-3-yl)-O2,O3-isopropylidene-β-D-1-deoxy-ribofuranose
Conditions | Yield |
---|---|
With tin(IV) chloride In acetonitrile at 20℃; | 82% |
With tin(IV) chloride | |
Stage #1: 5,7-dichloro-3H-imidazo<4,5-b>pyrimidine With N,O-bis-(trimethylsilyl)-acetamide In acetonitrile at 85℃; for 1h; Stage #2: 1,2,3,5-tetraacetylribose With trimethylsilyl trifluoromethanesulfonate In acetonitrile at 85℃; for 4h; |
The IUPAC name of 5,7-Dichloro-1H-imidazo[4,5-beta]pyridine is 5,7-Dichloro-1H-imidazo[4,5-b]pyridine. With the CAS registry number 24485-01-6, it is also named as 3H-Imidazo[4,5-b]pyridine,5,7-dichloro-. The product's category is chiral chemicals. In addition, its molecular formula is C6H3Cl2N3 and its molecular weight is 188.01.
The other characteristics of 5,7-Dichloro-1H-imidazo[4,5-beta]pyridine can be summarized as: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 9.35; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 167.83; (8)ACD/KOC (pH 7.4): 22.59; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 44.5 cm3; (15)Molar Volume: 112.2 cm3; (16)Polarizability: 17.64×10-24cm3; (17)Surface Tension: 75.4 dyne/cm; (18)Density: 1.675 g/cm3; (19)Flash Point: 238.4 °C; (20)Enthalpy of Vaporization: 64.42 kJ/mol; (21)Boiling Point: 416.9 °C at 760 mmHg; (22)Vapour Pressure: 8.95E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1c2c(nc(Cl)c1)ncn2
(2)InChI:InChI=1/C6H3Cl2N3/c7-3-1-4(8)11-6-5(3)9-2-10-6/h1-2H,(H,9,10,11)
(3)InChIKey:IKJFWUNKUZVHGU-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C6H3Cl2N3/c7-3-1-4(8)11-6-5(3)9-2-10-6/h1-2H,(H,9,10,11)
(5)Std. InChIKey:IKJFWUNKUZVHGU-UHFFFAOYSA-N