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721034

Sigma-Aldrich

5-Chloro-3-pyridineboronic acid

≥95%

Synonym(s):

(3-Chloro-5-pyridyl)boronic acid, (3-Chloropyridin-5-yl)boronic acid, (5-Chloropyridin-3-yl)boronic acid, 3-Chloropyridine-5-boronic acid, 5-Chloropyridine-3-boronic acid

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About This Item

Empirical Formula (Hill Notation):
C5H5BClNO2
CAS Number:
872041-85-5
Molecular Weight:
157.36
MDL number:
MFCD06798243
UNSPSC Code:
12352103
PubChem Substance ID:
329763814
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

assay

≥95%

form

solid

mp

255-260 °C

functional group

chloro

storage temp.

2-8°C

SMILES string

OB(O)c1cncc(Cl)c1

InChI

1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H

InChI key

NJXYBTMCTZAUEE-UHFFFAOYSA-N

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1 of 4

This Item
706086666513666491
5-Chloro-3-pyridineboronic acid ≥95%

721034

5-Chloro-3-pyridineboronic acid

2,6-Dimethoxy-3-pyridineboronic acid ≥95%

706086

2,6-Dimethoxy-3-pyridineboronic acid

2-Chloro-4-pyridinylboronic acid ≥95.0%

666513

2-Chloro-4-pyridinylboronic acid

2,4-Dimethoxy-5-pyrimidinylboronic acid 90%

666491

2,4-Dimethoxy-5-pyrimidinylboronic acid

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

2-8°C

form

solid

form

powder or crystals

form

solid

form

solid

mp

255-260 °C

mp

100-117 °C

mp

155-163 °C

mp

113-117 °C

functional group

chloro

functional group

-

functional group

chloro

functional group

-

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

Application

5-Chloro-3-pyridineboronic acid can be used as an intermediate:
  • In the preparation of positron emission tomography (PET) radioligand [11C]MK-1064, which is applicable in the orexin-2 receptor imaging.[1]
  • In the synthesis of orexin 2 receptor antagonist (2-SORA) MK-1064.[2]
  • In the preparation of pyridyl-cycloalkyl derived microsomal prostaglandin E synthase-1 inhibitors.[3]
  • In the synthesis of ATAD2 bromodomain inhibitors.[4]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

  • Specification Sheet

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    Certificates of Analysis (COA)

    Lot/Batch Number
    WXBD1482V
    WXBC6111V
    MKBN4272V
    MKBD4141V
    MKBD4141

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    Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E synthase-1 for the treatment of endometriosis
    Koppitz M, et al.
    Bioorganic & Medicinal Chemistry Letters, 29(18), 2700-2705 (2019)
    Fragment-based discovery of low-micromolar ATAD2 bromodomain inhibitors
    Demont EH, et al.
    Journal of Medicinal Chemistry, 58(14), 5649-5673 (2015)

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