N,N-Dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethanamine

Basic Information

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CAS Number

877149-80-9

Molecular Formula

C13H24BN3O2

Molecular Weight

265.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

365.765°C at 760 mmHg

SMILES

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CC1(C)OB(C2=CN(CCN(C)C)N=C2)OC1(C)C

InChI

InChI=1S/C13H24BN3O2/c1-12(2)13(3,4)19-14(18-12)11-9-15-17(10-11)8-7-16(5)6/h9-10H,7-8H2,1-6H3

InChIKey

KQOQBZWWJPKONC-UHFFFAOYSA-N

LogP

0.7439000000000002

Topological Polar Surface Area

39.519999999999996 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

307

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

N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanamine
N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethanamine
1H-Pyrazole-1-ethanamine,N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)-1H-pyrazole-1-ethanamine
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanamine
dimethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl})amine
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-ethanamine
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanamine (ACI)
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-dimethylaminoethyl)pyrazole
Dimethyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-ethyl-amine
N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethan-1-amine

MDL Number

MFCD16660235

Customs Code

2934999090

FAQ

What are the physical and chemical properties of N,N-Dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethanamine (CAS: 877149-80-9)?

The compound has a crystalline form with a molecular weight of approximately 348.44 g/mol. It is slightly soluble in water but has good solubility in organic solvents. Chemically, it is stable under normal conditions but reacts with strong acids and bases. Its reactivity depends on the boron-oxygen bond in the dioxaborole moiety.

How is N,N-Dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethanamine (CAS: 877149-80-9) typically synthesized?

This compound is typically synthesized via the reaction of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole with N,N-dimethyl ethanamine. The synthesis involves the use of palladium catalysts and requires the presence of a base like potassium carbonate. The yield is generally high, and the method is selective for the desired product.

What industries use N,N-Dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethanamine (CAS: 877149-80-9)?

This compound finds applications in pharmaceuticals for its role as a precursor in medicinal chemistry. It is also used in the production of certain polymer materials due to its functional groups. Additionally, it is utilized in the development of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling N,N-Dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethanamine (CAS: 877149-80-9)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves and goggles. It should be stored in a fume hood and kept away from strong acids and bases. In case of a spill, the area should be ventilated and cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.