L-2,6-Difluorophenylalanine

Basic Information

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CAS Number

33787-05-2

Molecular Formula

C9H9F2NO2

Molecular Weight

201.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

256 °C

Boiling Point

301.1°Cat760mmHg

Density

1.379

Flash Point

135.9°C

SMILES

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C1=CC(=C(C(=C1)F)CC(C(=O)O)N)F

InChI

InChI=1S/C9H9F2NO2/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

InChIKey

RFOVYDPRGDZBLJ-QMMMGPOBSA-N

LogP

0.9192000000000002

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

203

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

(2S)-2-amino-3-(2,6-difluorophenyl)propanoic acid
33787-05-2
CS-0157174
L-2,6-difluorophenyl-alanine
AC-6628
RFOVYDPRGDZBLJ-QMMMGPOBSA-N
d,l-2,6-difluorophenyl-alanine
(S)-2-Amino-3-(2,6-difluorophenyl)propanoic acid
2,6-difluoro phenylalanine
(S)-2-Amino-3-(2,6-difluoro-phenyl)-propionic acid
DTXSID70351995
SCHEMBL188588
AKOS016843196
MFCD00236245
2,6-difluoro-l-phenylalanine
AS-37635
L-2,6-Difluorophenylalanine
(S)-2-Amino-3-(2,6-difluorophenyl)propanoicacid
2,6-difluorophenylalanine
2,6-DIFLUORO-DL-PHENYLALANINE
2,6-Difluoro-L-phenylalanine
DL-2,6-DIFLUOROPHENYLALANINE
L-Phenylalanine,2,6-difluoro-
(S)-2,6-difluorophenylalanine
2(S)-2,6-difluorophenylalanine
2',6'-Difluoro-L-phenylalanine
2,6-DIFLUOROPHENYLALANINE
H-2,6-DIFLUORO-PHE-OH HCL
H-2,6-Difluoro-Phe-OH·HCl
H-DL-Phe(2,6-F2)-OH
H-Phe(2,6-F2)-OH

MDL Number

MFCD00236245

Customs Code

2922499990

FAQ

What are the physical and chemical properties of L-2,6-Difluorophenylalanine (CAS: 33787-05-2)?

L-2,6-Difluorophenylalanine is a crystalline solid with a molecular weight of approximately 218.09 g/mol. It is slightly soluble in water and more soluble in organic solvents. Chemically, it exhibits reactivity typical of amino acids and can undergo peptide bond formation under appropriate conditions. Its stability is moderate, with potential for hydrolysis under basic conditions.

How is L-2,6-Difluorophenylalanine (CAS: 33787-05-2) typically synthesized?

L-2,6-Difluorophenylalanine is typically synthesized via kinetic resolution of (S)-2,6-difluorophenylalanine using chiral auxiliaries or enzymatic methods. The process involves careful control of reaction conditions to achieve high enantiomeric excess and good yield. Common catalysts include chiral auxiliaries or specific enzymes.

What industries use L-2,6-Difluorophenylalanine (CAS: 33787-05-2)?

L-2,6-Difluorophenylalanine finds applications in the pharmaceutical industry for the synthesis of chiral pharmaceuticals. It is also used in polymer chemistry for the development of certain biodegradable polymers. Additionally, it has potential in the sensor and semiconductor industries for specific applications requiring chiral molecules.

What precautions should be taken when handling L-2,6-Difluorophenylalanine (CAS: 33787-05-2)?

When handling L-2,6-Difluorophenylalanine, use appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation. Store in a cool, dry place away from direct sunlight. In case of spill, handle carefully and follow standard laboratory procedures for disposing of organic chemicals. Always refer to the Safety Data Sheet (SDS) for detailed safety information.