2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride | CAS No. 1381944-57-5

2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride

Basic Information

CAS Number

1381944-57-5

Molecular Formula

C10H15ClFN

Molecular Weight

203.68 g/mol

AD

Basic Physical Properties

CC(C)(CN)C1=CC(=CC=C1)F.Cl

InChI

InChI=1S/C10H14FN.ClH/c1-10(2,7-12)8-4-3-5-9(11)6-8;/h3-6H,7,12H2,1-2H3;1H

InChIKey

FTBGXTIPEHEJNY-UHFFFAOYSA-N

LogP

2.483800000000001

Topological Polar Surface Area

26.02 Ų

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

145

Synonyms & References

English

  • 2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride
  • AK-98566
  • ANW-54761
  • CTK8B6887
  • KB-221788
  • DTXSID50743152
  • 2-(3-Fluorophenyl)-2-methylpropan-1-amine--hydrogen chloride (1/1)
  • Benzeneethanamine, 3-fluoro-beta,beta-dimethyl-, hydrochloride (1:1)
  • 2-(3-Fluorophenyl)-2-methylpropan-1-amine, HCl
  • MFCD22375032
  • 2-(3-Fluorophenyl)-2-methylpropan-1-amine HCl
  • SB77240
  • 1381944-57-5
  • 2-(3-Fluorophenyl)-2-methylpropan-1-aminehydrochloride
  • BS-21331
  • 2-(3-fluorophenyl)-2-methylpropan-1-amine;hydrochloride

MDL Number

MFCD22375032

Customs Code

2921499090

FAQ

What are the physical and chemical properties of 2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride (CAS: 1381944-57-5)?

2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride is a white crystalline solid with a molecular weight of approximately 223.74 g/mol. It has a pKa of around 10.2 and is soluble in water. It is less soluble in organic solvents like methanol and ethanol. This compound is less reactive than its parent compound, showing limited reactivity in acidic and basic media. It exhibits good solubility in polar aprotic solvents such as dimethylformamide (DMF) and dimethyl sulfoxide (DMSO).

How is 2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride (CAS: 1381944-57-5) typically synthesized?

2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride is typically synthesized via the reaction of 3-fluorophenyl isocyanate with 2-methylpropylamine. The reaction is conducted in a polar aprotic solvent like DMF or DMSO. The yield is generally high, around 85-90%, and the reaction is catalyzed by a basic substances like triethylamine. The selectivity is good, and side products are minimal.

What industries use 2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride (CAS: 1381944-57-5)?

2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also used in the research of sensors and semiconductors for its unique electronic properties. Due to its chemical structure, it can be utilized in the development of materials with specific functionalities in these industries.

What precautions should be taken when handling 2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride (CAS: 1381944-57-5)?

When handling 2-(3-Fluorophenyl)-2-methylpropan-1-amine hydrochloride, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure to fumes. Spills should be cleaned up immediately with appropriate absorbents, and the area should be flushed with water. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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