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Name |
6-Chloro-2-methoxypyridine-3-boronic acid |
EINECS | N/A |
CAS No. | 1072946-50-9 | Density | 1.403 g/cm3 |
PSA | 62.58000 | LogP | -0.57660 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7BClNO3 | Boiling Point | 354.461 °C at 760 mmHg |
Molecular Weight | 187.39 | Flash Point | 168.172 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
(6-Chloro-2-methoxy-3-pyridyl)boronic acid; |
2,5-dibromo-3-nitro-pyridine
(6-chloro-2-methoxypyridin-3-yl)boronic acid
Conditions | Yield |
---|---|
With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In tetrahydrofuran at 80℃; Suzuki Coupling; Inert atmosphere; Sealed tube; | 78% |
(6-chloro-2-methoxypyridin-3-yl)boronic acid
6-chloro-2-methoxypyridine
Conditions | Yield |
---|---|
With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); water In toluene at 90℃; for 3h; Microwave irradiation; Green chemistry; | 72% |
(6-chloro-2-methoxypyridin-3-yl)boronic acid
6-chloro-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 16h; | 55% |
(6-chloro-2-methoxypyridin-3-yl)boronic acid
6-chloro-3-iodo-2-methoxypyridine
Conditions | Yield |
---|---|
With N-iodo-succinimide at 90℃; for 0.0833333h; Microwave irradiation; | 51% |
(S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester
(6-chloro-2-methoxypyridin-3-yl)boronic acid
C18H23ClN4O3
Conditions | Yield |
---|---|
Stage #1: (S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,2-dimethoxyethane at 100℃; for 0.0833333h; Inert atmosphere; Stage #2: (6-chloro-2-methoxypyridin-3-yl)boronic acid With potassium carbonate In 1,2-dimethoxyethane; water for 1.16667h; | |
Stage #1: (S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester; palladium bis[bis(diphenylphosphino)ferrocene] dichloride In 1,2-dimethoxyethane at 100℃; for 0.0833333h; Inert atmosphere; Stage #2: (6-chloro-2-methoxypyridin-3-yl)boronic acid With potassium acetate In 1,2-dimethoxyethane; water for 1.16667h; Inert atmosphere; |
(6-chloro-2-methoxypyridin-3-yl)boronic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); water / toluene / 3 h / 90 °C / Microwave irradiation; Green chemistry 2: [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); water-d2 / toluene; tetrahydrofuran / 2 h / 90 °C / Microwave irradiation View Scheme |
(S)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester
(6-chloro-2-methoxypyridin-3-yl)boronic acid
C18H23ClN4O3
Conditions | Yield |
---|---|
Stage #1: (S)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid tert-butyl ester With palladium bis[bis(diphenylphosphino)ferrocene] dichloride In 1,2-dimethoxyethane at 100℃; for 0.0833333h; Inert atmosphere; Stage #2: (6-chloro-2-methoxypyridin-3-yl)boronic acid With potassium carbonate In 1,2-dimethoxyethane; water at 100℃; for 1.16667h; |
(6-chloro-2-methoxypyridin-3-yl)boronic acid
Conditions | Yield |
---|---|
With pyridine; copper diacetate In acetonitrile for 6h; Molecular sieve; Reflux; | 0.075 g |
With pyridine; copper diacetate In acetonitrile for 6h; Molecular sieve; Reflux; | 0.075 g |
(6-chloro-2-methoxypyridin-3-yl)boronic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: copper diacetate; pyridine / acetonitrile / 6 h / Molecular sieve; Reflux 2: Lawessons reagent / toluene / 5 h / Reflux View Scheme |
(6-chloro-2-methoxypyridin-3-yl)boronic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: copper diacetate; pyridine / acetonitrile / 6 h / Molecular sieve; Reflux 2: 5%-palladium/activated carbon; hydrogen / ethyl acetate / 6 h / 20 °C View Scheme |
The CAS registry number of 6-Chloro-2-methoxypyridine-3-boronic acid is 1072946-50-9. Its molecular formula is C6H7BClNO3 and molecular weight is 187.38868. Its systematic name is called (6-Chloro-2-methoxy-3-pyridyl)boronic acid.
Physical properties about 6-Chloro-2-methoxypyridine-3-boronic acid are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.282; (4)ACD/BCF (pH 5.5): 5.082; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 100.438; (7)ACD/KOC (pH 7.4): 4.024; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 42.279 cm3; (13)Molar Volume: 133.589 cm3; (14)Surface Tension: 54.525 dyne/cm; (15)Density: 1.403 g/cm3; (16)Flash Point: 168.172 °C; (17)Enthalpy of Vaporization: 63.261 kJ/mol; (18)Boiling Point: 354.461 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1OC)Cl)(O)O
(2)InChI: InChI=1/C6H7BClNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3,10-11H,1H3
(3)InChIKey: QMTFZVCHSRMZJW-UHFFFAOYAH