(6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid

Basic Information

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CAS Number

936353-84-3

Molecular Formula

C10H16BN3O2

Molecular Weight

221.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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B(C1=CN=C(C=C1)N2CCN(CC2)C)(O)O

InChI

InChI=1S/C10H16BN3O2/c1-13-4-6-14(7-5-13)10-3-2-9(8-12-10)11(15)16/h2-3,8,15-16H,4-7H2,1H3

InChIKey

YGZOCDXCJWHNQN-UHFFFAOYSA-N

LogP

-1.486799999999999

Topological Polar Surface Area

59.83 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

222

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid
[6-(4-Methylpiperazin-1-yl)pyridin-3-yl]boronic acid
6-(4-Methylpiperazin-1-yl)pyridin-3-ylboronic acid
6-(4-Methylpiperazin-1-yl)pyridine-3-boronic acid
AK112417
[6-(4-methyl-1-piperazinyl)-3-pyridinyl]boronic acid
YGZOCDXCJWHNQN-UHFFFAOYSA-N
AB54710
ST2402476
AX8164849
Z1130
6-(4-Methylpiperazino)pyridine-3-boronic acid
B-[6-(4-Methyl-1-piperazinyl)-3-pyridinyl]boronic acid (ACI)
(6-(4-methylpiperazin-1-yl)pyridin-3-yl)boronic acid
AKOS015950014
936353-84-3
DS-5640
SCHEMBL2562848
CS-W019096
MFCD09907981
C10H16BN3O2
F13126
J-518033
(6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronicacid
AC-9460
6-(4-Methylpiperazin-1-yl)pyridine-3-boronicacid
EN300-6498050
[6-(4-METHYLPIPERAZIN-1-YL)PYRIDIN-3-YL]BORONIC ACID
DTXSID00694403

MDL Number

MFCD09907981

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid (CAS: 936353-84-3)?

(6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid is a white crystalline solid with a molecular weight of approximately 315.33 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetonitrile. This compound is reactive towards nucleophiles and can undergo boronate ester formation under mild conditions. It has good stability in neutral and slightly acidic conditions but should be handled in inert atmospheres to avoid oxidation.

How is (6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid (CAS: 936353-84-3) typically synthesized?

(6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid is typically synthesized via a multistep process involving the preparation of 4-methylpiperazin-1-yl derivative and subsequent coupling with 3-pyridylboronic acid. The synthesis usually requires the use of a palladium catalyst, such as Pd(PPh3)4, and a base like triethylamine. The yield is generally around 70-80%, with excellent selectivity towards the boronic ester formation.

What industries use (6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid (CAS: 936353-84-3)?

(6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid finds applications in pharmaceuticals, where it serves as a building block for drug synthesis. It is also used in the development of sensors due to its chemoresponsive properties. Additionally, it has potential in the synthesis of polymers and semiconductors, although its primary application is in pharmaceutical research and development.

What precautions should be taken when handling (6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid (CAS: 936353-84-3)?

When handling (6-(4-Methylpiperazin-1-yl)pyridin-3-yl)boronic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be used in fume hoods to minimize exposure. Spills should be cleaned up carefully, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. Store the compound in a cool, dry place away from direct sunlight and moisture. It is also important to ensure proper ventilation in the laboratory to avoid inhaling dust or vapors.