{1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid

Basic Information

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CAS Number

882562-39-2

Molecular Formula

C14H13BN2O4S

Molecular Weight

316.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

596.1°C at 760 mmHg

Density

1.39±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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B(C1=CN(C2=C1C=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C)(O)O

InChI

InChI=1S/C14H13BN2O4S/c1-10-4-6-11(7-5-10)22(20,21)17-9-13(15(18)19)12-3-2-8-16-14(12)17/h2-9,18-19H,1H3

InChIKey

ZJMVMHYCONCGCX-UHFFFAOYSA-N

LogP

0.2615199999999998

Topological Polar Surface Area

92.42 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

488

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AB57808
[1-(4-Methylbenzene-1-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]boronic acid
(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid
SCHEMBL2447588
boronic acid,b-(1-((4-methylphenyl)sulfonyl)-1h-pyrrolo[2,3-b]pyridin-3-yl)-
AKOS015856692
MFCD10696634
1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid
882562-39-2
DS-11278
FT-0645630
Boronic acid,B-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-
1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-boronic acid
CS-0004203
1-tosyl-1H-Pyrrolo[2,3-b]pyridin-3-yl-boronic acid
DTXSID20671953
ZJMVMHYCONCGCX-UHFFFAOYSA-N
(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronicacid
[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]boronic acid
Boronic acid, B-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo [2,3-b]pyridin-3-yl]-
[1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]boronic acid
PubChem14712
C14H13BN2O4S
AB0027232
AX8157980
ST24026065
W9047
1-[(4-methylp
(1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid

MDL Number

MFCD10696634

Customs Code

2933990090

FAQ

What is (1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid (CAS: 882562-39-2)?

1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid is a boronic acid derivative, featuring a pyrrolo[2,3-b]pyridine core with a sulfonyl group and a boronic acid moiety. It is characterized by its stability and potential in organic synthesis and pharmaceutical applications.

What are the main uses of (1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid (CAS: 882562-39-2)?

This compound is primarily used in organic synthesis as a boronic acid precursor, particularly in Suzuki couplings and other coupling reactions. It also shows potential in drug discovery and development due to its unique chemical structure.

Is (1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid (CAS: 882562-39-2) safe?

The compound is generally considered safe when handled according to standard safety guidelines. However, it should be used with caution due to its potential reactivity. Protective measures include wearing appropriate personal protective equipment and ensuring proper ventilation during handling.

How should (1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid (CAS: 882562-39-2) be stored?

Store this compound in a cool, dark place at room temperature to prevent degradation. Use airtight containers to protect it from moisture and air. Avoid exposure to light and maintain a stable temperature to ensure its stability and purity.