Name: Boronic acid,B-(5-chloro-3-pyridinyl)-
SKU: 872041-85-5

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Basic Information

Molecular Structure:
CAS No.:	872041-85-5
Name:	Boronic acid,B-(5-chloro-3-pyridinyl)-

Formula:	C₅H₅BClNO₂
Molecular Weight:	157.364
Synonyms:	Boronicacid, (5-chloro-3-pyridinyl)- (9CI);(3-Chloro-5-pyridyl)boronic acid;(5-Chloropyridin-3-yl)boronic acid;
EINECS:	677-212-0
Density:	1.41 g/cm³
Melting Point:	255-260 °C
Boiling Point:	335.3 °C at 760 mmHg
Flash Point:	156.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	53.35000
LogP:	-0.58520

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Yield

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%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

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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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Specification