4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine

Basic Information

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CAS Number

57292-45-2

Molecular Formula

C14H18FNO4

Molecular Weight

283.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

84.0 to 88.0 deg-C

Boiling Point

431.2℃ at 760 mmHg

Density

1.1918 (estimate)

Flash Point

214.6 °C

Specific Rotation

-8 º (c=1,MeOH)

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O

InChI

InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

InChIKey

RCXSXRAUMLKRRL-LLVKDONJSA-N

LogP

2.3461

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

346

Safety Information

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Hazard Statement

Synonyms & References

English

boc-p-fluoro-d-phe-oh
RCXSXRAUMLKRRL-LLVKDONJSA-N
(2R)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-3-(4-fluorophenyl)propanoic acid
AC-9900
(2R)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)propanoate;N-Boc-4-fluoro-D-phenylalanine
BOC-d-4-Fluorophenylalanine
(r)-2-tert-butoxycarbonylamino-3-(4-fluoro-phenyl)-propionic acid
N-TERT-BUTOXY-D-4-FLUORO PHENYLALANINE
B3303
AKOS016843602
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-
(2R)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
57292-45-2
DTXSID80370334
(r)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid
(R)-2-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid
N-alpha-t-Butyloxycarbonyl-D-4-fluorophenylalanine (Boc-D-Phe(4-F)-OH)
MFCD00079669
EN300-1071444
boc-4-fluoro-l-phe
(2R)-2-{[(Tert-Butoxy)Carbonyl]Amino}-3-(4-Fluorophenyl)Propanoic Acid
J-300405
AM83346
HY-W009322
BOC-D-4-Fluorophe
Boc-4-fluoro-D-phenylalanine
N-BOC-D-4-FLUOROPHENYLALANINE
2-(R)-tert-butoxycarbonylamino-3-(4-fluorophenyl)propionic acid
Boc-D-Phe(4-F)-OH
CS-W010038
DS-15173

MDL Number

MFCD00079669

Customs Code

29242990

FAQ

What are the physical and chemical properties of 4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 57292-45-2)?

4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine is a crystalline compound. It has a molecular weight of approximately 284.23 g/mol. This compound is sparingly water-soluble and shows limited reactivity under normal conditions. It is stable to light and air but should be stored in a dry, cool place to prevent degradation.

How is 4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 57292-45-2) typically synthesized?

4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine can be synthesized through a multistep process involving acylation, fluoroalkylation, and protection of the amino group. Common methods include using acyl chloride or anhydride, with catalysis by anhydrous alkaline hydroxide. The reaction is typically conducted in a solvent like methanol or ethanol under mild conditions, yielding a product with good selectivity and moderate to high yield.

What industries use 4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 57292-45-2)?

4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine is primarily used in pharmaceuticals for the development of new drugs. It is also explored in the polymer industry for the synthesis of special polymers, and in the sensor and semiconductor industries for specialized applications requiring specific chemical properties.

What precautions should be taken when handling 4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine (CAS: 57292-45-2)?

When handling 4-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be handled carefully and the product should be stored in a dry, cool place. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.