1-Benzhydryl-3-fluoroazetidine

Basic Information

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CAS Number

617718-45-3

Molecular Formula

C16H16FN

Molecular Weight

241.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.14

SMILES

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C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C16H16FN/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2

InChIKey

ZYKWABRWFBVPIJ-UHFFFAOYSA-N

LogP

3.429700000000002

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

232

Synonyms & References

English

1-(Diphenylmethyl)-3-fluoroazetidine
1-benzhydryl-3-fluoroazetidine
AZETIDINE, 1-(DIPHENYLMETHYL)-3-FLUORO-
C16H16FN
1-benzhydryl-3-fluoro-azetidine
1-(diphenylmethyl)-3-fluoroazetidine
617718-45-3
DB-073009
Q-103144
1H-Benzhydryl-3-fluoroazetidine
SCHEMBL2888538
SB50712
ZYKWABRWFBVPIJ-UHFFFAOYSA-N
DTXSID80428541
G63303
AKOS015853705

MDL Number

MFCD09264482

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-Benzhydryl-3-fluoroazetidine (CAS: 617718-45-3)?

1-Benzhydryl-3-fluoroazetidine is a colorless crystalline solid with a molecular weight of approximately 315.35 g/mol. It has a low solubility in water but is miscible with organic solvents such as ethanol and acetone. This compound shows moderate reactivity, particularly under acidic conditions, and is prone to deamination. It exists as a single diastereomer with no enantiomeric purity indicated.

How is 1-Benzhydryl-3-fluoroazetidine (CAS: 617718-45-3) typically synthesized?

1-Benzhydryl-3-fluoroazetidine is typically synthesized through a multi-step process involving the formation of a benzhydryl amine followed by alkylation and fluorination. The synthesis involves the use of a Lewis acid catalyst, such as aluminum chloride, and involves protecting group strategies to control the reactivity of the intermediates. The overall yield is moderate, and purification is achieved through recrystallization and chromatography.

What industries use 1-Benzhydryl-3-fluoroazetidine (CAS: 617718-45-3)?

1-Benzhydryl-3-fluoroazetidine finds application in the pharmaceutical industry for its use in developing certain types of drugs, particularly those involving azetidine derivatives. It may also be used in the polymer industry for the synthesis of specific polymer materials. Although less common, it could be utilized in the semiconductor industry for specific chemical applications.

What precautions should be taken when handling 1-Benzhydryl-3-fluoroazetidine (CAS: 617718-45-3)?

When handling 1-Benzhydryl-3-fluoroazetidine, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area or fume hood due to its reactivity. In the event of a spill, it is recommended to clean up with caution using appropriate absorbent materials and to consult the Material Safety Data Sheet (MSDS) for specific guidelines and emergency procedures.