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5-Chloropyridine-3-boronic acid
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Name

5-Chloropyridine-3-boronic acid

 EINECS 677-212-0
CAS No. 872041-85-5 Density 1.41 g/cm3
PSA 53.35000 LogP -0.58520
Solubility N/A Melting Point 255-260 °C
Formula C5H5BClNO2 Boiling Point 335.3 °C at 760 mmHg
Molecular Weight 157.364 Flash Point 156.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 872041-85-5 (Boronic acid,B-(5-chloro-3-pyridinyl)-) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (5-chloro-3-pyridinyl)- (9CI);(3-Chloro-5-pyridyl)boronic acid;(5-Chloropyridin-3-yl)boronic acid;

 

5-Chloropyridine-3-boronic acid Synthetic route

872041-85-5

(5-chloro-3-pyridyl)boronic acid

78686-83-6

methyl 2-chloro-5-iodo-3-pyridinecarboxylate

1207253-05-1

methyl 5′,6-dichloro-[3,3′-bipyridine]-5-carboxylate

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In water; N,N-dimethyl-formamide at 25℃; for 18h; Suzuki Coupling;99%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In water; N,N-dimethyl-formamide at 20℃; Suzuki Coupling;90%
With caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In water; N,N-dimethyl-formamide at 25℃; for 24h; Suzuki Coupling;
872041-85-5

(5-chloro-3-pyridyl)boronic acid

1-ethyl-3-(5-iodo-4-(3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-2-yl)urea

C17H14ClF3N6O

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In 1,4-dioxane; water at 80℃; Inert atmosphere;96%
872041-85-5

(5-chloro-3-pyridyl)boronic acid

93131-78-3

4-methyl-2-oxo-2H-chromen-7-yl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

7-(5-chloropyridin-3-yl)-4-methyl-2H-chromen-2-one

Conditions
ConditionsYield
With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; tetra-n-butylammoniumfluoride trihydrate In methanol; 1,2-dimethoxyethane at 20 - 80℃; for 0.5h; Suzuki-Miyaura Coupling; Inert atmosphere; Microwave irradiation;90%
767351-13-3

2-ethyl-3-O-(tert-butyldimethylsilyl)estrone

872041-85-5

(5-chloro-3-pyridyl)boronic acid

4-((8S,9S,13S,14S)-3-((tert-butyldimethylsilyl)oxy)-2-ethyl-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-5-chloro-3-pyridine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In tetrahydrofuran; water at 60℃; Suzuki-Miyaura Coupling; Inert atmosphere;90%
872041-85-5

(5-chloro-3-pyridyl)boronic acid

2-bromoimidazopyrazine

2-(5-chloropyridin-3-yl)-1H-imidazo[4,5-b]pyrazine

Conditions
ConditionsYield
With bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II); cesium fluoride In 1,2-dimethoxyethane; water at 100℃; for 0.5h; Suzuki Coupling; Inert atmosphere; Microwave irradiation;88%
872041-85-5

(5-chloro-3-pyridyl)boronic acid

4-bromo-N-alpha-[(trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexyl)carbonyl]-N-[4-(2H-tetrazol-5-yl)phenyl]-L-phenylalaninamide

76-05-1

trifluoroacetic acid

N-alpha-[(trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexyl)carbonyl]-4-(5-chloropyrimidin-3-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-L-phenylalaninamide trifluoroacetate

Conditions
ConditionsYield
Stage #1: 4-bromo-N-alpha-[(trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexyl)carbonyl]-N-[4-(2H-tetrazol-5-yl)phenyl]-L-phenylalaninamide With tetrakis(triphenylphosphine) palladium(0) In 1,2-dimethoxyethane at 20℃; for 0.166667h;
Stage #2: (5-chloro-3-pyridyl)boronic acid With sodium carbonate In 1,2-dimethoxyethane; ethanol; water for 3h; Reflux;
Stage #3: trifluoroacetic acid In water; acetonitrile		88%
872041-85-5

(5-chloro-3-pyridyl)boronic acid

tert-butyl 3-(3-{[(2R)-2-(4-bromophenyl)-2-cyclopentylacetyl]amino}-2-methylphenyl)propanoate

tert-butyl 3-[3-({(2R)-2-[4-(5-chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl}amino)-2-methylphenyl]propanoate

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In tetrahydrofuran; water Suzuki Coupling;87%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In tetrahydrofuran at 80℃; for 6h; Suzuki Coupling;52.9%
872041-85-5

(5-chloro-3-pyridyl)boronic acid

1047675-70-6

5-bromo-2-methylthioazole-4-carboxylic acid ethyl ester

ethyl 5-(5-chloropyridin-3-yl)-2-methyl-1,3-thiazole-4-carboxylate

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In N,N-dimethyl-formamide at 100℃; Inert atmosphere;87%
872041-85-5

(5-chloro-3-pyridyl)boronic acid

(S)-N-(3-amino-1-cyano-3-oxopropyl)-3-((4-bromophenyl)sulfonyl)-2,2-dimethylpropanamide

(S)-N-(3-amino-1-cyano-3-oxopropyl)-3-((4-(5-chloropyridine-3-yl)phenyl)sulphonyl)-2,2-dimethylpropanamide

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate In water; N,N-dimethyl-formamide at 60℃; Suzuki Coupling;87%
872041-85-5

(5-chloro-3-pyridyl)boronic acid

696-62-8

para-iodoanisole

1595294-68-0

3-chloro-5-(4-methoxyphenyl)pyridine

Conditions
ConditionsYield
With potassium carbonate In ethanol; water at 90℃; for 0.25h; Suzuki Coupling; Microwave irradiation;86%

5-Chloropyridine-3-boronic acid Specification

This chemical is called Boronic acid, B-(5-chloro-3-pyridinyl)-, and its systematic name is (5-chloropyridin-3-yl)boronic acid. With the molecular formula of C5H5BClNO2, its molecular weight is 157.36. The CAS registry number of this chemical is 872041-85-5. Additionally, its product categories are Blocks; BoronicAcids; Pyridines; Organoborons; Pyridine.

Other characteristics of the Boronic acid, B-(5-chloro-3-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.29; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 35.91 cm3; (14)Molar Volume: 111.1 cm3; (15)Polarizability: 14.23 ×10-24cm3; (16)Surface Tension: 56.1 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 156.6 °C; (19)Enthalpy of Vaporization: 61.04 kJ/mol; (20)Boiling Point: 335.3 °C at 760 mmHg; (21)Vapour Pressure: 4.76E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: OB(O)c1cncc(Cl)c1
2.InChI: InChI=1/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
3.InChIKey: NJXYBTMCTZAUEE-UHFFFAOYAO

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