2-(3,4-Difluorophenyl)cyclopropanamine

Basic Information

View in Editor

CAS Number

633312-86-4

Molecular Formula

C9H9F2N

Molecular Weight

169.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

212 ºC

Density

1.268

Flash Point

103 ºC

SMILES

View in Editor

NC1CC1c2ccc(F)c(F)c2

InChI

InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2

InChIKey

QVUBIQNXHRPJKK-UHFFFAOYSA-N

LogP

1.7793999999999999

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Synonyms & References

English

2-(3,4-Difluorophenyl)cyclopropaneamine
2-(3,4-Difluorophenyl)cyclopropanamine
(1R,2S)-1,2-epoxy-4-methyl-1-phenylpentan-3-one
(4S,5R)-trans-4,5-epoxy-2-methyl-5-phenylpentan-3-one
1-Propanone, 2-methyl-1-[(2S,3R)-3-phenyloxiranyl]-
CTK0E2057
trans-(1R,2S)-1,2-epoxy-4-methyl-1-phenylpentan-3-one
trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl amine
trans-(4S,5R)-epoxy-2-methyl-5-phenylpentan-3-one
2-(3,4-Difluoro-phenyl)-cyclopropylamine

MDL Number

MFCD12068297

FAQ

What are the physical and chemical properties of 2-(3,4-Difluorophenyl)cyclopropanamine (CAS: 633312-86-4)?

2-(3,4-Difluorophenyl)cyclopropanamine is a colorless to white crystalline solid with a molecular weight of approximately 185.09 g/mol. It has a low solubility in water but is more soluble in polar organic solvents like methanol and ethanol. The compound is moderately reactive, particularly towards nucleophiles and bases, making it susceptible to hydrolysis under basic conditions.

How is 2-(3,4-Difluorophenyl)cyclopropanamine (CAS: 633312-86-4) typically synthesized?

2-(3,4-Difluorophenyl)cyclopropanamine can be synthesized via a multistep process involving the preparation of the 3,4-difluorophenyl ring and subsequent amination with a primary amine. Common synthetic routes include the use of protected 3,4-difluorophenyl derivatives followed by deprotection and amidation. The reaction typically proceeds with high selectivity and good yield under mild conditions.

What industries use 2-(3,4-Difluorophenyl)cyclopropanamine (CAS: 633312-86-4)?

2-(3,4-Difluorophenyl)cyclopropanamine is primarily used in the pharmaceutical industry for the development of novel drug candidates due to its unique chemical structure. It also finds applications in the polymer industry for the synthesis of advanced materials and in the sensor and semiconductor sectors for specialized functional coatings and devices.

What precautions should be taken when handling 2-(3,4-Difluorophenyl)cyclopropanamine (CAS: 633312-86-4)?

When handling 2-(3,4-Difluorophenyl)cyclopropanamine, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.